problem
stringlengths 296
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|---|---|
Using Cc1nn(C(=O)OC(C)(C)C)c2ncccc12, O=C1CCC(=O)N1Br to produce BrCc1n[nH]c2ncccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using C1COCCO1, CC(O)C#CC1(C)C=CN=C(N)N1 to produce C#Cc1cc(C)nc(N)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Na+]", "[OH-]"]} |
Using CN(Cc1c[nH]c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C, O=S(=O)(Cl)c1ccccn1 to produce CN(Cc1cn(S(=O)(=O)c2ccccn2)c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "C1COCCOCCOCCOCCO1", "[H-]"]} |
Using [NH4+], CCCc1nc2cnc3cccnc3c2n1CCCC=NOC to produce CCCc1nc2c(N)nc3cccnc3c2n1CCCC=NOC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["Cc1ccc(S(=O)(=O)Cl)cc1", "[OH-]", "O=C(OO)c1cccc(Cl)c1"]} |
Using OCCCSc1cccc(Br)c1, N#Cc1ccc(B(O)O)cc1 to produce N#Cc1ccccc1-c1ccc(SCCCO)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "O"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using O=C1CCOc2cc(Br)ccc21, NO to produce ON=C1CCOc2cc(Br)ccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using Clc1ccccn1, OB(O)c1ccccc1 to produce c1ccc(-c2ccccn2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CC(C)(C)OC(=O)N(Cc1ccc(NC(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)cc1)Cc1ncc[nH]1 to produce O=C(Nc1ccc(CNCc2ncc[nH]2)cc1)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using CCN(CC)CCCC(C)N, O=C(Cl)c1ccnc2ccccc12 to produce CCN(CC)CCCC(C)NC(=O)c1ccnc2ccccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCN(CC)CC"], "agent": ["Cl"]} |
Using N#Cc1cc(F)cc(B(O)O)c1, CC1Nc2ccc(Br)cc2C(C)(c2ccccc2)O1 to produce C[C@@H]1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2[C@](C)(c2ccccc2)O1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using Nc1nc2cc([N+](=O)[O-])ccc2c2cccnc12, ClCCl to produce Nc1ccc2c(c1)nc(N)c1nc(Cl)ccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Ni]"]} |
Using COC(=O)C(=O)c1ccc(O)cc1, ClCC1CO1 to produce COC(=O)C(=O)c1ccc(OCC2CO2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using O=[N+]([O-])c1ccc(F)cc1, Oc1ccccc1O to produce O=[N+]([O-])c1ccc(Oc2ccccc2O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)N(C)C"], "agent": ["CC(C)(C)[O-]", "[K+]", "Cl"]} |
Using Cc1cccc(-c2nc(Cl)cc(-c3cccnc3)n2)n1, NCCc1c[nH]c2ccccc12 to produce Cc1cccc(-c2nc(NCCc3c[nH]c4ccccc34)cc(-c3cccnc3)n2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN1CCCC1=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using [N-]=[N+]=NCC(O)COc1cccc(Cl)c1 to produce NCC(O)COc1cccc(Cl)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using O=Cc1cc(Cl)c(Cl)cc1F, COc1cc(F)ccc1O to produce COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCC(=O)c1c(-c2ccc(C(=O)OC)cc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1 to produce CCC(=O)c1c(-c2ccc(C(=O)O)cc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using O=Cc1ccc(O)cc1, CC(C)(C)[Si](C)(C)Cl to produce CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["c1c[nH]cn1"]} |
Using O=C(Cc1ccccc1)NC1CN(OC(=O)c2ccccc2)C1=O to produce O=C(Cc1ccccc1)NC1CN(O)C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using O=c1cc(Nc2ccc(I)cc2F)c([N+](=O)[O-])c[nH]1, CI to produce Cn1cc([N+](=O)[O-])c(Nc2ccc(I)cc2F)cc1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using C[S-], COc1cc(F)c(F)cc1OC to produce COc1cc(SC)c(F)cc1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "Cl"]} |
Using COCCOC, Cc1cc(N)c(F)cc1Br to produce Cc1cc(N)c(F)cc1C1=CCC2(CC1)OCCO2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[F-]", "[Cs+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CCOC(=O)C1=C(NC(=O)c2ccc(OC(F)F)cc2)CCCC1 to produce CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)F)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["F[B-](F)(F)F", "[H+]", "[H][H]"]} |
Using N[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1, O=C(c1ccccc1)c1ccccc1 to produce O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H](NC(c2ccccc2)c2ccccc2)C[C@H]1Cc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "Cc1ccccc1"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using COC(=O)C(C#N)c1cc(C)c(OC)cc1[N+](=O)[O-] to produce COc1cc([N+](=O)[O-])c(CC#N)cc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using O=C(C#Cc1ccccc1)Nc1ccccc1, COc1cc(CBr)cc(OC)c1OC to produce COc1cc(CN(C(=O)C#Cc2ccccc2)c2ccccc2)cc(OC)c1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CCCCCCCCCCCCCCOc1cc(C(=O)Cl)ccc1OC, CC(=O)NCc1ccccn1 to produce CCCCCCCCCCCCCCOc1cc(C(=O)N(Cc2ccccn2)C(C)=O)ccc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using CCOC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F to produce O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Li+]", "[OH-]"]} |
Using NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 to produce NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)O"], "agent": ["NC(CO)(CO)CO", "Cl"]} |
Using CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N, CCc1[nH]c(C(=O)O)nc1Cl to produce CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CC(=O)N(C)C"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using COC(=O)c1ccc(CN(C)CC2CCCCN2)cc1, O=Cc1ccc(Oc2ccc(Br)cc2)cc1 to produce CN(Cc1ccc(C(=O)O)cc1)CC1CCCCN1Cc1ccc(Oc2ccc(Br)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(Cl)Cl", "CCN(C(C)C)C(C)C"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "Cl"]} |
Using COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCOCC3)c2)cc1C, C#Cc1ccc(Cl)cc1 to produce COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(Cl)cc3)c2)cc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CCOC(=O)c1c(Cl)ccnc1Cl to produce OCc1c(Cl)ccnc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)C[Al+]CC(C)C", "[H-]"]} |
Using NCc1ccc2[nH]c(C(F)(F)F)cc2c1, CCOc1cccc(-c2ccc(C(=O)O)cn2)c1 to produce CCOc1cccc(-c2ccc(C(=O)NCc3ccc4[nH]c(C(F)(F)F)cc4c3)cn2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using NCC(=O)O, CCOC(=O)c1nc(C#N)c2c(c(Cl)cn2Cc2ccccc2F)c1OC(C)=O to produce N#Cc1nc(C(=O)NCC(=O)O)c(O)c2c(Cl)cn(Cc3ccccc3F)c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using O=C1CCN(c2ccc(Br)cc2)CC1 to produce OC1CCN(c2ccc(Br)cc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCl)cccc21, [C-]#N to produce CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CC#N)cccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["[Na+]", "Cl"]} |
Using COc1ncc(S(C)(=O)=O)cc1CN1CCC(CCc2ccccc2OCC2CCCCC2)CC1 to produce CS(=O)(=O)c1c[nH]c(=O)c(CN2CCC(CCc3ccccc3OCC3CCCCC3)CC2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=S(Cl)Cl", "CCO"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using O=C([O-])[O-], CC(C)(C)c1ccc(CN(CCc2ccc(F)cc2)C(=O)c2cccc3cc[nH]c23)c(O)c1 to produce COc1cc(C(C)(C)C)ccc1CN(CCc1ccc(F)cc1)C(=O)c1cccc2cc[nH]c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "CI"], "agent": ["[K+]"]} |
Using COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCOCCC#N)c23)cc1, C[Si](C)(C)N=[N+]=[N-] to produce COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCCCOCCc4nnn[nH]4)c23)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["CCCC[Sn](=O)CCCC"]} |
Using CC(C)N(C(=O)n1nnc(-c2c(F)cccc2F)c1C#N)c1cccc(C(=O)OCc2ccccc2)c1 to produce CC(C)N(C(=O)n1nnc(-c2c(F)cccc2F)c1C#N)c1cccc(C(=O)O)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Pd]"]} |
Using Oc1ccc2ccccc2c1, ClCCCBr to produce ClCCCOc1ccc2ccccc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=C1CCOCC1, CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2)on1 to produce CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2C2CCOCC2)on1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "CN(C)C=O"], "agent": ["[BH3-]C#N", "[Na+]", "Cl"]} |
Using COC(=O)C1CCC(OC[C@@H]2CC(F)(F)CN2C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)CC1 to produce Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3CC(F)(F)C[C@H]3CO[C@H]3CC[C@H](C(=O)O)CC3)cc2Cl)c2ccccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using COC(=O)[C@@H](CC=CCOCc1ccccc1)C[C@@H](OC)c1ccc(F)cc1 to produce COC(=O)[C@@H](CCCCO)C[C@@H](OC)c1ccc(F)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Pd]"]} |
Using CCOC(=O)c1cc(O)cc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1, BrCC1CCOCC1 to produce CCOC(=O)c1cc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)cc(OCC2CCOCC2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCc1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCC(NC(=O)c4ccccc4)CC3)c12 to produce CCc1cnc2[nH]cnc(N3CCC(NC(=O)c4ccccc4)CC3)c1-2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CCOC(=O)c1c(C(C)C)nc2ccc(Cl)cc2c1Cc1ccccc1OC to produce COc1ccccc1Cc1c(C(=O)O)c(C(C)C)nc2ccc(Cl)cc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["[Li+]", "[I-]"]} |
Using CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] to produce CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cl[Sn]Cl"]} |
Using CCOC(=O)C(CC(OC)OC)C(=O)OCC to produce COC(=O)CCC(OC)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]", "O=C=O"]} |
Using Cc1ccc2c(=O)[nH]ncc2c1[N+](=O)[O-] to produce Cc1ccc2c(=O)[nH]ncc2c1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Pd]"]} |
Using CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CCNCC3)c(F)cc2c1=O to produce CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using COC(=O)c1coc(C2CCN(C(=O)Cc3cc(C)ccc3C)CC2)n1 to produce Cc1ccc(C)c(CC(=O)N2CCC(c3nc(C(=O)O)co3)CC2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Cl-]", "[Na+]", "[OH-]"]} |
Using CCOC(=O)CC(OCC)c1ccc(O)cc1, OCc1ccc(C(F)(F)F)cc1 to produce CCOC(=O)CC(OCC)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using N#Cc1cccc(F)c1N, [N-]=[N+]=Nc1c(F)cncc1C=O to produce N#Cc1cccc(F)c1/N=C/c1cncc(F)c1N=[N+]=[N-], please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["Cl[Ti](Cl)(Cl)Cl"]} |
Using COC(=O)c1ccc(OCC2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 to produce COC(=O)c1ccc(OCC2CC(F)(F)CN2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using NO, CCOC(=O)COc1ccc(C(=O)CC)cc1 to produce CCOC(=O)COc1ccc(C(CC)=NO)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "CC(=O)[O-]", "Cl"]} |
Using OC1CCCNC1, OC(c1ccccc1)c1ccccc1 to produce c1ccc(C(OC2CCCNC2)c2ccccc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using CI, CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O to produce COC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using Fc1ccccc1CBr, COC(=O)c1ccc(O)cc1 to produce COC(=O)c1ccc(OCc2ccccc2F)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCOC(=O)c1cc(-c2cccnc2)no1 to produce O=C(O)c1cc(-c2cccnc2)no1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)C[Al+]CC(C)C, COC(=O)c1ncn(-c2ccc(C#N)cc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1 to produce CC(C)COC(=O)c1ncn(-c2ccc(C#N)cc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Cl-]", "[NH4+]", "[H-]"]} |
Using CC1(C)CCNC1, CC#CCOc1cc(Cl)ncn1 to produce CC#CCOc1cc(N2CCC(C)(C)C2)ncn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=S(=O)(Cl)CCCCOc1ccccc1, [F-] to produce O=S(=O)(F)CCCCOc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["[NH4+]"]} |
Using c1nc[nH]n1, COc1cc(COc2cc(CO)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccco2)oc1C to produce COc1cc(COc2cc(Cn3cncn3)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccco2)oc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "C1CCOC1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using CCS, CCOC(=O)c1c(Cl)nc2cc(C(F)(F)F)cnc2c1C to produce CCOC(=O)c1c(SCC)nc2cc(C(F)(F)F)cnc2c1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=C([O-])[O-], O=C1CCC(c2ccc(O)cc2)CC1 to produce COc1ccc(C2CCC(=O)CC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CI", "CC(C)=O"], "agent": ["[K+]"]} |
Using O=C(O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 to produce O=[N+]([O-])c1ccc(N2CCC(CO)CC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["B"]} |
Using Brc1ccccc1, C#CC1CCCCN1C(=O)c1nc(C)sc1-c1ccccc1 to produce Cc1nc(C(=O)N2CCCCC2C#Cc2ccccc2)c(-c2ccccc2)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using O=C(O)c1ccccc1, CN1C(=O)CC[C@]2(C)c3ccc(-c4cccc(N)c4)cc3CC[C@@H]12 to produce CN1C(=O)CC[C@]2(C)c3ccc(-c4cccc(NC(=O)c5ccccc5)c4)cc3CC[C@@H]12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C"]} |
Using CC(C)[C@@H](NC(=O)NCC(C)(C)OC(=O)OCCBr)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1, C1COCCN1 to produce CC(C)[C@@H](NC(=O)NCC(C)(C)OC(=O)OCCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CCCC3)ccc2c1=O to produce O=C(O)c1c[nH]c2nc(N3CCCC3)ccc2c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "CCOCC"], "agent": ["Cl"]} |
Using CCOC(=O)CCc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1OCC to produce CCOc1nn(Cc2ccc(OCc3ccccc3)cc2)cc1CCC(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using C=C(C)n1c(=O)[nH]c2ccccc21 to produce Cn1c(=O)[nH]c2ccccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CI"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using II, COc1cccc(-c2ccc(N)cc2C)c1 to produce COc1cccc(-c2ccc(I)cc2C)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["CC(C)CCON=O"]} |
Using O=C([O-])O, CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 to produce COC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]"]} |
Using C#CC(C)(O)c1nccs1, Nc1ncc(Cl)c(-n2ncc3ccc(I)cc32)n1 to produce CC(O)(C#Cc1ccc2cnn(-c3nc(N)ncc3Cl)c2c1)c1nccs1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCNCC1"], "agent": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using O=C(c1ccoc1)c1cc2ccncc2[nH]1, CC(C)(C)OC(=O)NCCON to produce CC(C)(C)OC(=O)NCCON=C(c1ccoc1)c1cc2ccncc2[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using CCOC(=O)CCCCCOc1c(C=O)oc(COC(=O)C(C)(C)C)cc1=O, CCCCCC(=O)CP(=O)(OC)OC to produce CCCCCC(=O)/C=C/c1oc(COC(=O)C(C)(C)C)cc(=O)c1OCCCCCC(=O)OCC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using CON(C)C(=O)C(CC1CCCC1)c1ccc(SC)cn1, C=C[Mg]Br to produce C=CC(=O)C(CC1CCCC1)c1ccc(SC)cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["Cl"]} |
Using N#CBr, c1ccc(CSc2ncn(-c3ccccc3)n2)cc1 to produce Brc1nc(SCc2ccccc2)nn1-c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using CCOC(=O)c1cc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)cc1Cl to produce COc1ccc(COc2cc(Cl)c(C(=O)O)cc2OCc2ccc(OC)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CC(C)(C)OC(=O)N1CCC(F)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 to produce CC(C)(C)[Si](OCCC1(F)CCNCC1)(c1ccccc1)c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["N"]} |
Using O=[N+]([O-])c1ccccc1C1(O)CCCCC1 to produce Nc1ccccc1C1(O)CCCCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Ni]"]} |
Using BrCCBr, Oc1cc(F)ccc1-c1ncc[nH]1 to produce Fc1ccc2c(c1)OCCn1ccnc1-2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using COCCOCN(c1onc(C)c1Cl)S(=O)(=O)c1c(C(O)c2c(OC)cccc2OC)sc2ncccc12 to produce COCCOCN(c1onc(C)c1Cl)S(=O)(=O)c1c(Cc2c(OC)cccc2OC)sc2ncccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "ClCCl"], "agent": ["FB(F)F", "CC[SiH](CC)CC"]} |
Using OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O, CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O to produce CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1", "Cl"]} |
Using CCc1ccc(-c2ccc(Cl)cc2)cc1[N+](=O)[O-] to produce CCc1ccc(-c2ccc(Cl)cc2)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Using CN(C)C1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 to produce CN(C)C1(Cc2ccccc2)CCNCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O=CO", "CO"], "agent": ["O=C[O-]", "[NH4+]", "[Pd]"]} |
Using CCOCC, CCC(=O)c1cc(C)nn2c(-c3sc(-c4cccc(C)n4)cc3C)c(C)nc12 to produce CCC(O)(CC)c1cc(C)nn2c(-c3sc(-c4cccc(C)n4)cc3C)c(C)nc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["CC[Mg]Br"]} |
Using ClCc1ccc(Cl)nc1, COC(=O)c1[nH]c(=O)c2ccc(Br)cc2c1-c1ccccc1 to produce COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(Cl)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using CSc1ncc(CCl)c(NC(C)C)n1, N#Cc1cc(N)cc([N+](=O)[O-])c1 to produce CSc1ncc(CNc2cc(C#N)cc([N+](=O)[O-])c2)c(NC(C)C)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "CCN(C(C)C)C(C)C"], "agent": ["[Na+]", "[I-]"]} |
Using OB(O)c1ccc(F)c(Cl)c1, O=Cc1cccc(Br)n1 to produce O=Cc1cccc(-c2ccc(F)c(Cl)c2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using Cc1cc(C)nc(C)c1, CCOC(=O)OCC to produce Cc1cc(CC(=O)O)cc(C)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]", "[OH-]"]} |
Using COc1ccc2c(c1O)CCN(C(=O)c1nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc13)C2 to produce COc1ccc2c(c1O)CCN(C(=O)c1nc(-c3ccc(N)cc3)nc3ccccc13)C2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Fe]", "[Cl-]", "[NH4+]"]} |
Using O=C(CNS(=O)(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1, Ic1ccccc1 to produce O=S(=O)(NCC(O)(c1ccccc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "BrCCBr"], "agent": ["[Mg]", "[Cl-]", "[NH4+]"]} |
Using CCOC(=O)C(=O)OCC, COc1cccc(OC)c1 to produce CCOC(=O)C(=O)c1c(OC)cccc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCCCCC"], "agent": ["[Li]CCCC", "Cl", "CN(C)CCN(C)C"]} |
Using COC(=O)CCCCCCI, CCCCC/C=C/C(Sc1ccccc1)C1COC(=O)C1C(=O)OC to produce CCCCC/C=C/C(Sc1ccccc1)C1COC(=O)C1(CCCCCCC(=O)OC)C(=O)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["CC(C)(C)[O-]", "[K+]", "Cl"]} |
Using CCOC(=O)c1cnn(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1 to produce Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(n2ncc(C(=O)O)n2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using C=CCN(c1cc([N+](=O)[O-])ccc1Br)S(C)(=O)=O to produce Cc1cn(S(C)(=O)=O)c2cc([N+](=O)[O-])ccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "CCN(C(C)C)C(C)C"], "agent": ["CC(=O)[O-]", "[Pd+2]"]} |
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