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stringlengths 25
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CN1CCN(c2ccc(N)cc2)CC1.CO.Cl.Clc1c2ccccc2nc2ccccc12>>CN1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 | 115 |
CCI.CN(C)C=O.Nc1ccc(C(=O)O)cn1.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)c1ccc(N)nc1 | 196 |
O=C(O)C(F)(F)F~O=C1CNCCN1S(=O)(=O)c1nc2cc(Cl)ccc2s1.O=C(O)Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O>>O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4cc(Cl)ccc4s3)C(=O)C2)c(=O)n1)OC(c1ccccc1)c1ccccc1 | 297 |
CC#N.CCCCCCCCCCCC(=O)Cl.Oc1c(I)cc(I)cc1I>>CCCCCCCCCCCC(=O)Oc1c(I)cc(I)cc1I | 111 |
C1CCOC1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CNC.O.O=C(O)c1ccc(Br)c(Cl)c1>>CN(C)C(=O)c1ccc(Br)c(Cl)c1 | 44 |
Cc1ccc(N)cc1Br.O.O=N[O-]~[Na+].O=S(=O)(O)O.[I-]~[K+]>>Cc1ccc(I)cc1Br | 200 |
Cc1ccccc1.Cc1ccnc(CO)c1.Clc1cc(-c2cccnc2)c2c(n1)CCCC2.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>>Cc1ccnc(COc2cc(-c3cccnc3)c3c(n2)CCCC3)c1 | 433 |
CCCC=O.CO.Cl.O.O=c1[nH]c2c(c3nc(-c4ccccc4F)cn13)CNCC2.[BH3-]C#N~[Na+]>>CCCCN1CCc2[nH]c(=O)n3cc(-c4ccccc4F)nc3c2C1 | 484 |
CO.C[Si](C)(C)C#Cc1cccc(Br)c1.O=C([O-])[O-].[K+].[K+]>>C#Cc1cccc(Br)c1 | 337 |
C1CCOC1.CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc2ccc(OS(C)(=O)=O)cc2o1.[BH4-]~[Na+]>>CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc2ccc(OS(C)(=O)=O)cc2o1 | 91 |
CCN=C=NCCCN(C)C.CCc1[nH]c(C(=O)O)nc1Br.CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.Cl.On1nnc2ccccc21>>CCc1[nH]c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)nc1Br | 951 |
C1CCOC1.CCOC(=O)N=NC(=O)OCC.Cc1ccccc1.O=Cc1ccc(O)c(F)c1.OCc1ccc(Cl)c(Cl)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1 | 347 |
C1CCOC1.CO.COC(=O)CC1C(=O)N(Cc2ccc(NC(=O)c3ccccc3)cc2)c2ccccc2N(c2ccc(CNC(=O)OC(C)(C)C)cc2)C1=O.O.O=S(=O)([O-])O.[K+].[Na+].[OH-]>>CC(C)(C)OC(=O)NCc1ccc(N2C(=O)C(CC(=O)O)C(=O)N(Cc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc32)cc1 | 88 |
CCNC.ClCCCCCCOc1ccc(Br)cc1.O.[Na+]~[OH-]>>CCN(C)CCCCCCOc1ccc(Br)cc1 | 138 |
C1CCOC1.CCOC(=O)Cc1cccc2[nH]c(=O)n(-c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)c(=O)c12.O.O.[BH4-].[Cl-].[Li+].[Na+]>>O=c1[nH]c2cccc(CCO)c2c(=O)n1-c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 | 225 |
CC(C)(C)OC(=O)NCC1CCNCC1.CCN(C(C)C)C(C)C.CN1CCCC1=O.Fc1ccc2nccc(Cl)c2c1>>CC(C)(C)OC(=O)NCC1CCN(c2ccnc3ccc(F)cc23)CC1 | 398 |
BrB(Br)Br.COc1cccc(-c2cnc(N)cn2)c1.ClCCl.[Na+]~[OH-]>>Nc1cnc(-c2cccc(O)c2)cn1 | 48 |
C1CCOC1.CCN.O=[N+]([O-])c1ccc(F)nc1F>>CCNc1nc(F)ccc1[N+](=O)[O-] | 810 |
C1CCNCC1.CCOCC.CO.COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=O)cc2)cc1.Cc1ccccc1.O=C(O)c1ccccc1.O=C1CSC(=O)N1>>COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1 | 761 |
CCOC(=O)c1cccc(S(=O)(=O)c2c(CCC(=O)N(C)C)c[nH]c2C)c1.[Na+].[OH-]>>Cc1[nH]cc(CCC(=O)N(C)C)c1S(=O)(=O)c1cccc(C(=O)O)c1 | 5 |
CC(=O)OC(C)=O.CCOC(C)=O.II.OCC1CCC=CO1.c1ccncc1>>CC(=O)OCC1CCC=CO1 | 254 |
CCCc1c(OCCSc2nc3ccc(C(=O)OCC)cc3[nH]2)ccc(C(C)=O)c1O.Cl.[Na+]~[OH-]>>CCCc1c(OCCSc2nc3ccc(C(=O)O)cc3[nH]2)ccc(C(C)=O)c1O | 5 |
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.COc1cc(F)ccc1[N+](=O)[O-].OCCN1CCOCC1.[Cl-].[K+].[OH-]>>COc1cc(OCCN2CCOCC2)ccc1[N+](=O)[O-] | 485 |
CN(C)C=O.Clc1ccc(CBr)cc1.O.O=C([O-])[O-]~[K+]~[K+].O=C1NCCc2ccc(N3CCNCC3)cc21>>O=C1NCCc2ccc(N3CCN(Cc4ccc(Cl)cc4)CC3)cc21 | 248 |
CC(=O)OCCCC(F)(F)c1ccccc1.OCCC(F)(F)c1ccccc1.[Na+]~[OH-]>>OCCCC(F)(F)c1ccccc1 | 225 |
CO.O=C([O-])O~[Na+].O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Br.[BH4-]~[Na+]>>OCc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Br | 356 |
C1CCOC1.COc1ccc(CN(c2ccc(F)c(Cl)c2)c2ncnc3cc(OCCCN4CCOCC4)c([N+](=O)[O-])cc23)cc1OC.[H][H].[Ni]>>COc1ccc(CN(c2ccc(F)c(Cl)c2)c2ncnc3cc(OCCCN4CCOCC4)c(N)cc23)cc1OC | 1 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CN(c1cc(OCCCS(C)(=O)=O)cc2cc(C(=O)NCC(C=O)SCc3ccccc3)[nH]c12)S(=O)(=O)c1ccccn1.CS(=O)(=O)N1CCNCC1.ClCCCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C([O-])O.[Na+].[Na+]>>CN(c1cc(OCCCS(C)(=O)=O)cc2cc(C(=O)NCC(CN3CCN(S(C)(=O)=O)CC3)SCc3ccccc3)[nH]c12)S(=O)(=O)c1ccccn1 | 484 |
CCOC(C)=O.CI.CN(C)C=O.COc1ccc2[nH]c(=O)n(CCCO)c(=O)c2c1Cc1ccc(F)cc1.O.O=C([O-])[O-]~[K+]~[K+]>>COc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C | 570 |
C1COCCO1.COc1ccc(B(O)O)cc1C.Cc1ccnc(Br)c1.O.O=P([O-])([O-])[O-]~[K+]~[K+]~[K+]>>COc1ccc(-c2cc(C)ccn2)cc1C | 869 |
C1CCOC1.CCOC(=O)c1cc(N(Cc2ccc(C#Cc3ccc(OC)cc3)cc2)CC2CCCC2)ccc1O.Cl.O.[Li+].[OH-]>>COc1ccc(C#Cc2ccc(CN(CC3CCCC3)c3ccc(O)c(C(=O)O)c3)cc2)cc1 | 5 |
Clc1ccc(CBr)cc1.Nc1cnc(-c2ccc(C3CCC3)c(O)c2F)cn1>>Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(Cl)cc3)c2F)cn1 | 127 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.CN(C)c1ccncc1.ClCCl.Clc1ccc2c(c1)CCC21CCNC1>>CC(C)(C)OC(=O)N1CCC2(CCc3cc(Cl)ccc32)C1 | 694 |
NC[C@H](O)COc1ccc(O)cc1.O=C1CCN(c2ccc(C=C3SC(=O)NC3=O)cc2)CC1>>O=C1NC(=O)C(=Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 236 |
C1CCOC1.C=O.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CNC(=O)c1cc(CCc2cnc(Nc3cnn([C@@H]4CCCNC4)c3)nc2)c(F)c(OC)c1>>CNC(=O)c1cc(CCc2cnc(Nc3cnn([C@@H]4CCCN(C)C4)c3)nc2)c(F)c(OC)c1 | 217 |
CC(=O)Cl.CCCCCc1cc2c(nc(O)n2CCCN)c(N)n1.CCN(CC)CC.ClCCl>>CCCCCc1cc2c(nc(O)n2CCCNC(C)=O)c(N)n1 | 45 |
C1CCOC1.CCO.COC(=O)c1cc(C(F)(F)F)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1.Cl.O.[Na+].[OH-]>>O=C(O)c1cc(C(F)(F)F)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1 | 247 |
C=CC(=O)Cl.CC(C)n1cnc2c(Nc3ccc(N4CCN(C)CC4)cc3)nc(N3CC[C@H](N)C3)nc21.CCC(C)(C)O.ClCCl.O=C([O-])O.[Na+]>>C=CC(=O)N[C@H]1CCN(c2nc(Nc3ccc(N4CCN(C)CC4)cc3)c3ncn(C(C)C)c3n2)C1 | 298 |
CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2cc(ccc2O)-c2cccc(c2)C[C@@H](C(=O)O)NC1=O.CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)NC[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CN(C)C=O.ClCCCl.On1nnc2ccccc21>>CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)-c2ccc(O)c(c2)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N1)C(=O)NC[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | 131 |
CO.COC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1.COC(OC)N(C)C.NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1.NCc1ccco1>>O=C(NCc1ccco1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | 487 |
CCCCCCOC(=O)Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@H](C)c3ccccc3)[C@@H]2C(=O)OCc2ccccc2)ccn1.CCOC(C)=O.CO.[Pd]>>CCCCCCOC(=O)Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@H](C)c3ccccc3)[C@@H]2C(=O)O)ccn1 | 186 |
CO.COC(=O)CCc1c[nH]c2ccc(C#N)cc12.[K+]~[OH-]>>N#Cc1ccc2[nH]cc(CCC(=O)O)c2c1 | 88 |
C1CCOC1.CCCCCCCCc1ccc(C#C[Si](C)(C)C)s1.CO.O.O=C([O-])[O-]~[K+]~[K+]>>C#Cc1ccc(CCCCCCCC)s1 | 337 |
CCOC(=O)Cl.CCOC(C)=O.CN(C)c1ccc2nc(CO)ccc2c1.CN(C)c1ccncc1.ClCCl.O.O=S(=O)([O-])[O-].[Na+].[Na+]>>CCOC(=O)OCc1ccc2cc(N(C)C)ccc2n1 | 144 |
CO.COC(=O)C1CCN(CC(=O)N(CC2=NC3CCOCC3C(=O)N2)CC2CC2)CC1.O.[Na+]~[OH-]>>O=C(O)C1CCN(CC(=O)N(CC2=NC3CCOCC3C(=O)N2)CC2CC2)CC1 | 88 |
CC#N.CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)N1CCNCC1.CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F.O=C(O)c1ccccc1O>>CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 | 44 |
CCOC(C)=O.CN(C)C=O.C[C@@H]1CNC[C@]1(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.FC(F)(F)c1cccc(Cl)c1CBr.O=C([O-])[O-].[K+].[K+]>>C[C@@H]1CN(Cc2c(Cl)cccc2C(F)(F)F)C[C@]1(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 | 248 |
BrBr.CC(=O)c1ccc(Br)nc1.ClC(Cl)Cl.ClCCl.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>O=C(CBr)c1ccc(Br)nc1 | 173 |
Br~Br~CCCN1CCNCC1.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.Cc1cc(C#N)ccc1-c1cnn(-c2ccc(C(=O)O)cn2)c1O.Cl.O.On1nnc2ccccc21>>CCCN1CCN(C(=O)c2ccc(-n3ncc(-c4ccc(C#N)cc4C)c3O)nc2)CC1 | 256 |
NNc1ncc(-c2cccc(O)c2)nn1.NNc1ncc(-c2ccccc2)nn1.O=C(O)COc1ccnc2ccccc12.O=C(O)Cc1ccc2ncccc2c1>>O=C(COc1ccnc2ccccc12)NNc1ncc(-c2cccc(O)c2)nn1 | 459 |
C1CCOC1.CC(C)(C)OC(=O)N1CCCCC1CCOc1ccccc1CCCCc1ccccc1.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Al+3].[H-].[H-].[H-].[H-].[H-].[Li+].[Na+].[Na+]>>CN1CCCCC1CCOc1ccccc1CCCCc1ccccc1 | 881 |
CCO.CCOC(=O)c1cn2c3c(cccc13)CCC2.O.[Na+]~[OH-]>>O=C(O)c1cn2c3c(cccc13)CCC2 | 171 |
CN.Fc1ccccc1Cn1cnc2cnc(Cl)nc21>>CNc1ncc2ncn(Cc3ccccc3F)c2n1 | 578 |
C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(OC(C)C)cc3)nc3c2oc2ccccc23)CN1)C(=O)NS(=O)(=O)C1CC1.CC(C)(C)[C@H](Nc1ccc(F)cc1)C(=O)O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN1CCOCC1.Cl.ClCCl.F[P-](F)(F)(F)(F)F.On1nnc2ccccc21>>C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(OC(C)C)cc3)nc3c2oc2ccccc23)CN1C(=O)[C@@H](Nc1ccc(F)cc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 | 297 |
CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F.CNC(C)(CN1CCCC1)c1ccc(-c2ccccc2)cc1.O=C(O)Cn1c(=O)oc2ccc(Cl)cc21>>CN(C(=O)Cn1c(=O)oc2ccc(Cl)cc21)C(C)(CN1CCCC1)c1ccc(-c2ccccc2)cc1 | 633 |
C=COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO.CI.[Na+]~[OH-]>>C=COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC | 140 |
CCCCCC.CCOC(C)=O.COCCOCCOC.Cc1nc(Cl)c([N+](=O)[O-])c(NCCO)c1C.Oc1ccccc1.[H-].[H][H].[Na+]>>Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCO)c1C | 516 |
COc1ccc(N)cc1-c1c(Cl)cnn1C.O=C=Nc1ccc(Br)cc1>>COc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1-c1c(Cl)cnn1C | 804 |
CCO.Cc1ccc(Nc2nn(COCC[Si](C)(C)C)c3ccc(-c4ncccc4Cl)cc23)nn1.Cl.O=C([O-])O~[Na+]>>Cc1ccc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)nn1 | 813 |
CC#N.CCCI.Cl.N#Cc1cccc(N2CCNCC2)c1C(F)(F)F.O=C([O-])[O-]~[K+]~[K+]>>CCCN1CCN(c2cccc(C#N)c2C(F)(F)F)CC1 | 184 |
CCN(C(C)C)C(C)C.CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(N)c3)cc2C(F)(F)F)CC1.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)c(C(=O)O)cnc32)cc1.O>>CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NC(=O)c4cnc5c(ccn5S(=O)(=O)c5ccc(C)cc5)c4Cl)c3)cc2C(F)(F)F)CC1 | 739 |
CCOC(C)=O.CN(C)C=O.CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(O)cc4)c4c(N)ncnc43)CC2)CC1.N#Cc1c(F)cccc1Sc1ccccn1.O=C([O-])[O-]~[K+]~[K+].[Na+]~[OH-]>>CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Oc5cccc(Sc6ccccn6)c5C#N)cc4)c4c(N)ncnc43)CC2)CC1 | 564 |
CC#N.CC(C)=O.CC(C)Oc1cc2[nH]c(=O)c([C@H](C)N)cc2cc1Cl.CCN(C(C)C)C(C)C.CCO.COc1nc(Cl)ncc1C#N.CS(C)=O.Cl.O.O=C=O>>COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N | 544 |
COC(=O)c1cc(OC(C)=O)c2ccc(OC)cc2c1-c1ccc(Br)cc1.COCCOC.O.O=C([O-])[O-]~[Na+]~[Na+].OB(O)c1ccccc1>>COC(=O)c1cc(OC(C)=O)c2ccc(OC)cc2c1-c1ccc(-c2ccccc2)cc1 | 837 |
CCO.CCOC(=O)CCN1CCc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1.[Na+]~[OH-]>>O=C(O)CCN1CCc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1 | 7 |
CC(=O)CCO.CC(C)(C)[Si](C)(C)Cl.CN(C)C=O.c1c[nH]cn1>>CC(=O)CCO[Si](C)(C)C(C)(C)C | 193 |
C1CCOC1.CCOC(=O)CCN1CCN2CCCCC2C1.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>OCCCN1CCN2CCCCC2C1 | 225 |
C=CC(=O)Cl.COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)cc1.CO~ClC(Cl)Cl.ClCCl.O.O=C([O-])O~[Na+]>>C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1 | 10 |
C=Cc1ccc(C(=O)O)cc1.CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CN1CCOCC1.Cc1ccccc1P(c1ccccc1C)c1ccccc1C.Cc1nc2ccc3ccc(Br)cc3c2c(=O)[nH]1>>Cc1nc2ccc3ccc(C=Cc4ccc(C(=O)O)cc4)cc3c2c(=O)[nH]1 | 539 |
Cc1ccc(S(=O)(=O)Cl)cc1.OCCC1CCOCC1.c1ccncc1>>Cc1ccc(S(=O)(=O)OCCC2CCOCC2)cc1 | 197 |
CCN(CC)CC.Cc1ccc(C(=O)Cl)cc1.Cc1ccccc1.OC1CCN(Cc2cccc(Br)c2)CC1>>Cc1ccc(C(=O)OC2CCN(Cc3cccc(Br)c3)CC2)cc1 | 51 |
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1I.CCOC(C)=O.[OH-]~[OH-]~[Pd+2]>>CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(Oc2cc(F)c(N)cc2F)c1I | 335 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.CCOC(C)=O.COc1cccc(CNC(=O)c2nc3scc(COCCC4CCNCC4)c3c(=O)[nH]2)c1~Cl.CS(=O)(=O)Cl.ClCCl>>COc1cccc(CNC(=O)c2nc3scc(COCCC4CCN(S(C)(=O)=O)CC4)c3c(=O)[nH]2)c1 | 584 |
C1CCOC1.CCOCC.COC(=O)[C@H](CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O.O.[Li+].[OH-]>>O=C(O)[C@H](CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O | 88 |
CCO.CN.O=S1(=O)N(CCBr)Cc2ccccc2N1c1ccccc1F>>CNCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O | 147 |
C1COCCO1.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CC1CN(C(=O)OC(C)(C)C)CCN1.O.O=C(Nc1cnccn1)N1c2nc(Cl)ccc2N2CC[C@H]1C2.O=C([O-])[O-]~[Cs+]~[Cs+]>>CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc2c(n1)N(C(=O)Nc1cnccn1)[C@H]1CCN2C1 | 220 |
CC(C)(C)OC(=O)CCN(CC(=O)N1CCc2cc(O)ccc21)C(=O)OC(C)(C)C.CN(C)C=O.FC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1.O=C([O-])[O-].[K+].[K+]>>CC(C)(C)OC(=O)CCN(CC(=O)N1CCc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21)C(=O)OC(C)(C)C | 127 |
CC(C)C(O)(c1ccc(B(O)O)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.CCNC(=O)c1cccc(Br)n1.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>CCNC(=O)c1cccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)n1 | 869 |
CCCCOc1ncc(C(=O)O)cc1-c1cc(C(F)(F)F)ccc1F.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.N[C@@H]1CCCC[C@H]1O>>CCCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1cc(C(F)(F)F)ccc1F | 674 |
C1CCOC1.COC(=O)c1ccc2c(C)c3c(nc2c1)CCCC3.O.[Na+]~[OH-]>>Cc1c2c(nc3cc(C(=O)O)ccc13)CCCC2 | 247 |
C1CCOC1.O=C(O)c1ccc(CBr)cc1F>>OCc1ccc(CBr)cc1F | 72 |
CC(=O)N(C)C.CC(C)(Cc1ccc(O)cc1)[N+](=O)[O-].CCCCBr.CCCC[N+](CCCC)(CCCC)CCCC.O.O=C([O-])[O-].[I-].[K+].[K+]>>CCCCOc1ccc(CC(C)(C)[N+](=O)[O-])cc1 | 75 |
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O.COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](C(=O)O)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1.Cl.Cl.O>>COc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@@H](C(=O)O)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O)cc1 | 133 |
FC1(F)Oc2ccc(CBr)cc2O1.O.[Br-]~[K+].[C-]#N~[K+]>>N#CCc1ccc2c(c1)OC(F)(F)O2 | 39 |
CC1OCCC1(C)N.COc1ccc2c(Cl)ncnc2c1OC.CS(C)=O.O=C([O-])O.[Na+]>>COc1ccc2c(NC3(C)CCOC3C)ncnc2c1OC | 166 |
C1CCOC1.CCN(CC)CCN.O=C(Cl)c1ccc(F)cc1>>CCN(CC)CCNC(=O)c1ccc(F)cc1 | 271 |
C1CCOC1.CC(C)c1ccc(-c2csc(N)n2)cc1.COc1ccc(OC)c(S(=O)(=O)Cl)c1.[H-].[Na+]>>COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c1 | 637 |
CCOC(C)=O.Cc1cccc(Nc2ccccc2)c1[N+](=O)[O-].[Pd]>>Cc1cccc(Nc2ccccc2)c1N | 1 |
C1CCOC1.CCC1CC1(NC(=O)C1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)C(NC(=O)OC1CC2CC2C1)C(C)(C)C)C(=O)OC.CO.Cl.O.[Li+].[OH-]>>CCC1CC1(NC(=O)C1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)CN1C(=O)C(NC(=O)OC1CC2CC2C1)C(C)(C)C)C(=O)O | 88 |
CCOC(=O)C1(CCOC)CCNCC1.O=S(=O)(Cl)c1ccccc1Cl.c1ccncc1>>CCOC(=O)C1(CCOC)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 99 |
Br.COc1cccc(C2CCCN2CCc2ccccc2)c1.O=C([O-])O.[Na+]>>Oc1cccc(C2CCCN2CCc2ccccc2)c1 | 732 |
CO.COC(=O)c1ccc(N/C(=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc2)cc1.[Na+].[OH-]>>O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C(/Nc1ccc(C(=O)O)cc1)c1ccccc1 | 247 |
C1CCOC1.CC(C)(C)[Si](C)(C)Oc1cc(F)ccc1F.CN(C)C=O.Cl.[Li]C(C)CC>>CC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F | 239 |
C1CCOC1.CCOC(=O)Cc1c(C)n(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2ccc(F)cc12.Cl.O.[Li+].[OH-]>>Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1ccccc1S(=O)(=O)c1ccc(F)cc1 | 7 |
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CC(C)(C)OC(=O)Oc1ccc(Br)cc1C#N.Cc1ccccc1.O.O=P([O-])([O-])[O-]~[K+]~[K+]~[K+].OB(O)C1CC1>>CC(C)(C)OC(=O)Oc1ccc(C2CC2)cc1C#N | 956 |
C#CCCCCO.CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(Br)c1.COCCOC.O.O=C([O-])[O-]~[K+]~[K+].[Cu]I.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(C#CCCCCO)c1 | 719 |
B.C1CCOC1.CC(C)(C)OC(=O)N1CCN2c3ccccc3NC(=O)CC2C1.CO.Cl.ClCCl.O=C([O-])O.[Na+]>>CC(C)(C)OC(=O)N1CCN2c3ccccc3NCCC2C1 | 112 |
CO.COc1cc2ncnc(N3CCC(n4c(=O)c5cc(C(C)=O)ccc5n(C)c4=O)CC3)c2cc1OC.ClC(Cl)Cl.O.[BH4-]~[Na+]>>COc1cc2ncnc(N3CCC(n4c(=O)c5cc(C(C)O)ccc5n(C)c4=O)CC3)c2cc1OC | 24 |
CC(C)(Cc1ccc2ccccc2c1)[N+](=O)[O-].CCO.[Ni]>>CC(C)(N)Cc1ccc2ccccc2c1 | 226 |
C1CCOC1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.C[Si](C)(C)CCOCCl.[H-]~[Na+]>>CC1(C)OB(c2cnn(COCC[Si](C)(C)C)c2)OC1(C)C | 910 |