smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COCCBr.C1(=CC=CC=C1)C(N1C(C2(C3=CC=CC=C13)COC1=C2C=CC(=C1)O)=O)C1=CC=CC=C1>>C1(=CC=CC=C1)C(N1C(C2(C3=CC=CC=C13)COC1=C2C=CC(=C1)OCCOC)=O)C1=CC=CC=C1 | 5 |
CC1=CC=C(C=C1)B(O)O.ClC1=CC=C2C(=NN(C2=C1)COCC[Si](C)(C)C)NC(CCC)=O>>CC1=CC=C(C=C1)C1=CC=C2C(=NN(C2=C1)COCC[Si](C)(C)C)NC(CCC)=O | 5 |
[CH:1]([N:14]1[CH2:17][CH:16]([CH2:18]C=O)[CH2:15]1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[NH:27][CH:26]=[CH:25]2.[OH-:31].[Na+].[CH3:33]O>>[CH:1]([N:14]1[CH2:15][CH:16]([CH:18]([O:31][CH3:33])[N:27]2[C:28]3[C:24](=[CH:23][C:22]([F:21])=[CH:30][CH:29]=3)[CH:25]=[CH:26]2)[CH2:17]1)([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1 | 1 |
C[S-].[Na+].BrC=1C(=C2C(=NC1)NC=C2)Cl>N(C)(C)C=O>BrC=1C(=C2C(=NC1)NC=C2)SC | 3 |
CC1=CC=C(C(=N1)C#N)N1N=CN=C1>>CC1=CC=C(C(=N1)C(=O)O)N1N=CN=C1 | 5 |
Cl.CC(C(=O)O)(C)OC=1C=C2C(=C(N(C2=CC1)CCC)C)C1=CC=NC=C1>C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC(CO)(C)OC=1C=C2C(=C(N(C2=CC1)CCC)C)C1=CC=NC=C1 | 3 |
O1CCOC12CCC(CC2)O>>BrC1CCC2(OCCO2)CC1 | 5 |
F[B-](F)(F)F.C[O+](C)C.OC1=C(C=NC=C1I)C(=O)OC>ClCCl>IC=1C(=C(C=NC1)C(=O)OC)OC | 3 |
[CH3:1][N:2]([CH3:15])[S:3]([C:6]1[CH:11]=[CH:10][C:9]([N+:12]([O-])=O)=[CH:8][CH:7]=1)(=[O:5])=[O:4]>CO.[Pd]>[NH2:12][C:9]1[CH:10]=[CH:11][C:6]([S:3]([N:2]([CH3:15])[CH3:1])(=[O:5])=[O:4])=[CH:7][CH:8]=1 | 1 |
BrCCCCCC1=CC=CC=C1.OCC1=CC(=NO1)C(=O)OCC>>C1(=CC=CC=C1)CCCCCOCC1=CC(=NO1)C(=O)OCC | 5 |
[NH2:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[C:7]([NH2:9])=[O:8].[Cl:10][C:11]1[CH:12]=[N:13][CH:14]=[CH:15][C:16]=1[CH:17]=O.Cl>C(O)C.CO.C(Cl)Cl>[Cl:10][C:11]1[CH:12]=[N:13][CH:14]=[CH:15][C:16]=1[C:17]1[N:9]=[C:7]([OH:8])[C:3]2[S:4][CH:5]=[CH:6][C:2]=2[N:1]=1 | 2 |
CCCN[C@H]1CCC2=C(C1)SC(=N2)N.OC1=C(C=C(C=C1)/C=C/C=O)OC>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>NC=1SC2=C(N1)CCC(C2)N(C/C=C/C2=CC(=C(C=C2)O)OC)CCC | 3 |
[NH2:1][C:2]1[C:10]2[C:5](=[CH:6][C:7]([Cl:12])=[CH:8][C:9]=2[Cl:11])[NH:4][C:3]=1[C:13]([O:15][CH2:16][CH3:17])=[O:14].[C:18]1([S:24](Cl)(=[O:26])=[O:25])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>N1C=CC=CC=1>[C:18]1([S:24]([NH:1][C:2]2[C:10]3[C:5](=[CH:6][C:7]([Cl:12])=[CH:8][C:9]=3[Cl:11])[NH:4][C:3]=2[C:13]([O:15][CH2:16][CH3:17])=[O:14])(=[O:26])=[O:25])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][N:6]([C:11]1[N:16]=[C:15]2[O:17][C:18]([C:24]3[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=3)=[C:19]([C:20]([NH:22][CH3:23])=[O:21])[C:14]2=[CH:13][C:12]=1[CH:31]1[CH2:33][CH2:32]1)[S:7]([CH3:10])(=[O:9])=[O:8].[CH3:34][S:35]([CH2:38][C:39]([O:41][CH2:42][CH3:43])=[O:40])(=[O:37])=[O:36].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[CH:31]1([C:12]2[CH:13]=[C:14]3[C:19]([C:20](=[O:21])[NH:22][CH3:23])=[C:18]([C:24]4[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=4)[O:17][C:15]3=[N:16][C:11]=2[N:6]([CH2:5][CH2:4][CH2:3][CH2:2][CH:38]([S:35]([CH3:34])(=[O:37])=[O:36])[C:39]([O:41][CH2:42][CH3:43])=[O:40])[S:7]([CH3:10])(=[O:9])=[O:8])[CH2:33][CH2:32]1 | 1 |
C(C1=CC=CC=C1)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)OC[C@@H]1N(CCC1)C)CN(CC2)C(=O)OC(C)(C)C)CC#N>Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)OC[C@@H]1N(CCC1)C)CNCC2)CC#N | 3 |
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][N:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)=[CH:16][CH:15]=3)=[CH:11][CH:12]=2)[C@H:7]([NH2:27])[CH2:6][C@@H:5]1[CH2:28][CH3:29])(=[O:3])[CH3:2].CCN(C(C)C)C(C)C.[CH2:39]([O:42][C:43](Cl)=[O:44])[CH2:40][CH3:41]>ClCCl>[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][N:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)=[CH:16][CH:15]=3)=[CH:11][CH:12]=2)[C@H:7]([NH:27][C:43](=[O:44])[O:42][CH2:39][CH2:40][CH3:41])[CH2:6][C@@H:5]1[CH2:28][CH3:29])(=[O:3])[CH3:2] | 1 |
OC=1C=C2C=CC(=CC2=CC1)C(=O)OC>>C(C1=C2C=CC(=CC2=CC=C1O)C(=O)OC)C1=C2C=CC(=CC2=CC=C1O)C(=O)OC | 5 |
FC(C=1C=CC(=NC1C1=C(C=CC=C1)C=C)NS(=O)(=O)C1=CC=CC(=N1)N1CC(CCC1)CCC(=O)O)(F)F>[HH].C(C)(=O)OCC.[Pt](=O)=O>C(C)C1=C(C=CC=C1)C1=C(C=CC(=N1)NS(=O)(=O)C1=CC=CC(=N1)N1CC(CCC1)CCC(=O)O)C(F)(F)F | 3 |
BrC1=CC=C(C=C1)NC(OC(C)(C)C)=O.C(C)OC(=O)C=1C(=NC(=NC1)N)C>>C(C)OC(=O)C=1C(=NC(=NC1)NC1=CC=C(C=C1)NC(=O)OC(C)(C)C)C | 5 |
NC=1C(NC(N(C1N)CC1=CC=C(C=C1)OC)=S)=O>C(=O)O>COC1=CC=C(CN2C(NC(C=3NC=NC23)=O)=S)C=C1 | 3 |
COC(=O)C=1N=C(SC1)NC([C@H](CC1=CC=CC=C1)NC(C(C1=CC=C(C=C1)OCCOC)N)=O)=O>ClCCl.C(C)(C)N(C(C)C)CC.ClC(=O)OC(Cl)(Cl)Cl>COC(=O)C=1N=C(SC1)NC([C@H](CC1=CC=CC=C1)N1C(NC(C1=O)C1=CC=C(C=C1)OCCOC)=O)=O | 3 |
FC(S(=O)(=O)OC1=C(C=2C3=C(C(NC2C=C1)=O)SC=C3)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)(F)F>N(C)(C)C=O.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.[Cl-].[Zn+2].[Cl-].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>C(#N)C1=C(C=2C3=C(C(NC2C=C1)=O)SC=C3)C3=CC=C(CNC(OC(C)(C)C)=O)C=C3 | 3 |
C([O:5][C@@H:6]([C@H:8]1[CH2:12][O:11][C:10](=[O:13])[N:9]1[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([NH:20][CH:21]([C:23]2[O:27][N:26]=[C:25]([C:28]3[CH:33]=[CH:32][C:31]([O:34][C:35]([F:38])([F:37])[F:36])=[C:30]([Cl:39])[CH:29]=3)[N:24]=2)[CH3:22])[N:15]=1)[CH3:7])(C)(C)C.C(O)(C(F)(F)F)=O.O>>[Cl:39][C:30]1[CH:29]=[C:28]([C:25]2[N:24]=[C:23]([C@H:21]([NH:20][C:16]3[N:15]=[C:14]([N:9]4[C@@H:8]([CH:6]([OH:5])[CH3:7])[CH2:12][O:11][C:10]4=[O:13])[CH:19]=[CH:18][N:17]=3)[CH3:22])[O:27][N:26]=2)[CH:33]=[CH:32][C:31]=1[O:34][C:35]([F:36])([F:38])[F:37] | 1 |
Cl[CH2:2][CH2:3][C:4]([N:6]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[C:10](=[O:17])[NH:9][C:8]2[CH:18]=[CH:19][CH:20]=[N:21][C:7]1=2)=[O:5].C(=O)([O-])[O-].[Na+].[Na+].[CH2:28]([N:33]1[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]1)[CH:29]=[C:30]([CH3:32])[CH3:31]>C(O)C>[CH2:28]([N:33]1[CH2:34][CH2:35][N:36]([CH2:2][CH2:3][C:4]([N:6]2[C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=3[C:10](=[O:17])[NH:9][C:8]3[CH:18]=[CH:19][CH:20]=[N:21][C:7]2=3)=[O:5])[CH2:37][CH2:38]1)[CH:29]=[C:30]([CH3:32])[CH3:31] | 1 |
[Br:1][C:2]1[N:6]2[N:7]=[C:8](Cl)[CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1.[F:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[CH2:16][NH2:17].O>CN1C(=O)CCC1>[Br:1][C:2]1[N:6]2[N:7]=[C:8]([NH:17][CH2:16][C:15]3[CH:18]=[CH:19][CH:20]=[C:13]([F:12])[CH:14]=3)[CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1 | 2 |
[Cl:1][C:2]1[S:6][C:5]([C:7]2[O:11][N:10]=[CH:9][C:8]=2[CH2:12]O)=[CH:4][CH:3]=1.O1CCCC1.S(Cl)([Cl:21])=O>C1(C)C=CC=CC=1>[Cl:21][CH2:12][C:8]1[CH:9]=[N:10][O:11][C:7]=1[C:5]1[S:6][C:2]([Cl:1])=[CH:3][CH:4]=1 | 1 |
[NH2:1][CH2:2][CH2:3][CH:4]1[C:8]2[C:9]3[N:10]([N:13]=[C:14]([CH3:21])[C:15]=3[C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:11]=[CH:12][C:7]=2[CH2:6][CH2:5]1.C(N(CC)CC)C.[C:29](OC(=O)C)(=[O:31])[CH3:30].O>O1CCCC1>[C:29]([NH:1][CH2:2][CH2:3][CH:4]1[C:8]2[C:9]3[N:10]([N:13]=[C:14]([CH3:21])[C:15]=3[C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:11]=[CH:12][C:7]=2[CH2:6][CH2:5]1)(=[O:31])[CH3:30] | 1 |
C(C1=CC=CC=C1)Br.O1[C@@H](CCC=C1)CN[S@@](=O)C(C)(C)C>N(C)(C)C=O.O.[H-].[Na+]>C(C1=CC=CC=C1)N(S(=O)C(C)C)C[C@H]1OC=CCC1 | 3 |
C(C)(C)(C)OC(NC1=CC=2SC3=CC=CC(=C3SC2C=C1)C=1OC(=CC(C1)=O)N1CCOCC1)=O>ClCCl.C(=O)(C(F)(F)F)O>NC=1C=C2SC=3C=CC=C(C3SC2=CC1)C=1OC(=CC(C1)=O)N1CCOCC1 | 3 |
C(C)(=O)OC.BrC=1C=CC(=C(C1)/C(/C(F)F)=N/S(=O)C(C)(C)C)F>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+].CC([O-])C.CC([O-])C.CC([O-])C.Cl[Ti+3]>BrC=1C=CC(=C(C1)C(CC(=O)OC)(C(F)F)NS(=O)C(C)(C)C)F | 3 |
NC1=NC=NC(=C1C#N)Cl.Cl.Cl.N[C@@H](C)C=1N(C2=C(N1)C=CC(=C2CO)F)C2=CC=CC=C2>>NC1=NC=NC(=C1C#N)N[C@@H](C)C1=NC2=C(N1C1=CC=CC=C1)C(=C(C=C2)F)CO | 5 |
NC1=C(C=CC(=C1)C1=CC=NC=C1)NC(=O)C1CN(C(C1)=O)C(C)C>C(C)(=O)O>C(C)(C)N1C(CC(C1)C1=NC2=C(N1)C=C(C=C2)C2=CC=NC=C2)=O | 3 |
[ClH:1].O1CCOCC1.Cl.CCOCC.Cl.CO.[C:17]([OH:29])(=[O:28])[CH2:18][C:19]([CH2:24][C:25]([OH:27])=[O:26])([C:21]([OH:23])=[O:22])[OH:20]>C(Cl)Cl>[ClH:1].[C:17]([OH:29])(=[O:28])[CH2:18][C:19]([CH2:24][C:25]([OH:27])=[O:26])([C:21]([OH:23])=[O:22])[OH:20] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:29]=[CH:30][CH:31]=1)[O:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[N:13]1[C:17](=[O:20])[O:18][N:19]=[C:12]1[C@@H:11]([NH:21]C(=O)OC(C)(C)C)[CH2:10]2.[ClH:32]>C(OCC)C>[ClH:32].[NH2:21][C@H:11]1[CH2:10][C:9]2[C:14](=[CH:15][CH:16]=[C:7]([O:6][C:5]3[CH:29]=[CH:30][CH:31]=[C:3]([O:2][CH3:1])[CH:4]=3)[CH:8]=2)[N:13]2[C:17](=[O:20])[O:18][N:19]=[C:12]12 | 2 |
ClC1=CC=C(C=N1)CN1C(C2(C3=CC=CC=C13)COC=1C2=CC2=C(OCO2)C1)=O>CNC>CN(C1=CC=C(C=N1)CN1C(C2(C3=CC=CC=C13)COC=1C2=CC2=C(OCO2)C1)=O)C | 3 |
[C:1]1([N:7]2[C:19](=[O:20])[C:10]3=[CH:11][NH:12][C:13]4[CH:14]=[CH:15][CH:16]=[CH:17][C:18]=4[C:9]3=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.ClC1C2C(=CC=C([F:32])C=2)N=CC=1C(OCC)=O.C1(NN)C=CC=CC=1>>[F:32][C:16]1[CH:15]=[CH:14][C:13]2[NH:12][CH:11]=[C:10]3[C:19](=[O:20])[N:7]([C:1]4[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=4)[N:8]=[C:9]3[C:18]=2[CH:17]=1 | 1 |
[NH:1]([C:15]([O:17][CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:16])[C@H:2]([C:11]([O:13][CH3:14])=[O:12])[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.OS(O)(=O)=O>C(Cl)Cl>[CH3:14][O:13][C:11](=[O:12])[CH:2]([NH:1][C:15]([O:17][CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:16])[CH2:3][C:4]1[CH:5]=[CH:6][C:7]([O:10][C:4]([CH3:9])([CH3:5])[CH3:3])=[CH:8][CH:9]=1 | 1 |
CC(C(=O)OC)(C(C(=O)OC)=O)C.C1(CCCC1)CN1N=C(C=2C1=NC=C(C2)F)C(NN)=N>>C1(CCCC1)CN1N=C(C=2C1=NC=C(C2)F)C=2N=NC(=C(N2)O)C(C(=O)OC)(C)C | 5 |
BrC1=CC(=C(CN2CCCCC2)C=C1)OC>>COC1=C(CN2CCCCC2)C=CC(=C1)B1OC(C(O1)(C)C)(C)C | 5 |
BrCCCCCC(=O)OC.C1=CC=NC(=C1)NC2=CC=CC=N2>N(C)(C)C=O.[H-].[Na+]>COC(CCCCCN(C1=NC=CC=C1)C1=NC=CC=C1)=O | 3 |
C(C)OC(=O)C1CN(CCC1)CC1COC2=C(O1)C=CC=C2>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1C(COC2=C1C=CC=C2)CN2CC(CCC2)CO | 3 |
CSSC.BrC=1C=C(C=O)C=C(C1O)OCC>c1ccncc1.[Cu]>C(C)OC=1C=C(C=O)C=C(C1O)SC | 3 |
[Si](C)(C)(C)F.C[Si](N1[C@@H](C[C@H](C1)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(C)C.BrCC(=O)F>>BrCC(=O)N1[C@@H](C[C@H](C1)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 5 |
BrCCCOCC1=CC=CC=C1.C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)SC)C1=CC(=C(C=C1)C)CC1=CC=C(C=C1)O>>C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)SC)C1=CC(=C(C=C1)C)CC1=CC=C(C=C1)OCCCOCC1=CC=CC=C1 | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([N:7]([CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])[C:8]([C:10]2[CH:29]=[CH:28][C:13]3[N:14]([CH3:27])[C:15]([CH2:17][CH2:18][C:19]4[CH:24]=[CH:23][C:22]([C:25]#[N:26])=[CH:21][CH:20]=4)=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:2]=1.[ClH:37].C(O)C.C(=O)([O-])[O-].[NH4+:45].[NH4+]>ClCCl.C(O)C>[ClH:37].[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([N:7]([CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])[C:8]([C:10]2[CH:29]=[CH:28][C:13]3[N:14]([CH3:27])[C:15]([CH2:17][CH2:18][C:19]4[CH:24]=[CH:23][C:22]([C:25](=[NH:45])[NH2:26])=[CH:21][CH:20]=4)=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:2]=1 | 1 |
Br[C:2]1[C:3]([CH3:15])=[N:4][N:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[CH3:14])[C:6]=1[NH2:7].Cl.[N:17]1[C:26]2[C:21](=[CH:22][C:23](OB(O)O)=[CH:24][CH:25]=2)[N:20]=[CH:19][CH:18]=1.C(=O)([O-])[O-].[Na+].[Na+].C(OCC)(=O)C>CN(C=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[N:17]1[C:26]2[C:21](=[CH:22][C:23]([C:2]3[C:3]([CH3:15])=[N:4][N:5]([C:8]4[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=4[CH3:14])[C:6]=3[NH2:7])=[CH:24][CH:25]=2)[N:20]=[CH:19][CH:18]=1 | 2 |
[C:1]([N:8]1[CH2:14][CH2:13][CH2:12][C@H:9]1[CH:10]=[O:11])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[S:15]1[C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=2[N:17]=[CH:16]1.[Li]CCCC>>[S:15]1[C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=2[N:17]=[C:16]1[CH:10]([OH:11])[C@@H:9]1[CH2:12][CH2:13][CH2:14][N:8]1[C:1]([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2] | 1 |
FC1=CC=C(C=C1)[N+](=O)[O-].CC=1NC=CN1>N(C)(C)C=O.O.C(C)(=O)OCC.[H-].[Na+]>CC=1N(C=CN1)C1=CC=C(C=C1)[N+](=O)[O-] | 3 |
ClC(=O)OCCl.C(C1=CC=CC=C1)(=O)C1CN(CCO1)CC1=CC=CC=C1>>Cl.C(C1=CC=CC=C1)(=O)C1CNCCO1 | 5 |
CN1C[C@H](C=C2C=3C=CC=C4NC=C(C[C@@H]12)C34)NC(C(C)(C)C)=O>BrN1C(CCC1=O)=O.O1CCOCC1>BrC1=C2C[C@H]3N(C[C@H](C=C3C=3C=CC=C(N1)C32)NC(C(C)(C)C)=O)C | 3 |
Br[C:2]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][C:3]=1[C:4]([O:6]C)=[O:5].[F:13][C:14]([F:21])([C:17]([F:20])([F:19])[F:18])[CH2:15][NH2:16].C([O-])(=O)C.[K+].C(N(CC)CC)C>C(OCC)(=O)C.Cl.O.C([O-])(=O)C.[Cu+3].C([O-])(=O)C.C([O-])(=O)C.CN(C=O)C>[F:12][C:9]1[CH:10]=[CH:11][C:2]([NH:16][CH2:15][C:14]([F:21])([F:13])[C:17]([F:20])([F:19])[F:18])=[C:3]([CH:8]=1)[C:4]([OH:6])=[O:5] | 2 |
[Cl:1][C:2]1[CH:10]=[C:9]([C:11]([NH:13][CH:14]([C:16]2[NH:20][C:19]3[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=3[N:17]=2)[CH3:15])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].[CH2:26]([N:28]([CH2:38][CH3:39])[CH2:29][CH2:30][CH2:31][CH:32]1[CH2:37][CH2:36][CH2:35][CH2:34][NH:33]1)[CH3:27].C(N(C(C)C)CC)(C)C.ClCl>CS(C)=O>[Cl:1][C:2]1[CH:10]=[C:9]([CH:8]=[CH:7][C:3]=1[C:4]([N:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH:32]1[CH2:31][CH2:30][CH2:29][N:28]([CH2:38][CH3:39])[CH2:26][CH3:27])=[O:5])[C:11]([NH:13][CH:14]([C:16]1[NH:20][C:19]2[CH:21]=[CH:22][C:23]([Cl:25])=[CH:24][C:18]=2[N:17]=1)[CH3:15])=[O:12] | 1 |
C(OC([N:8]([CH2:34][C:35]1[CH:44]=[CH:43][C:38]2[O:39][CH2:40][CH2:41][O:42][C:37]=2[CH:36]=1)[CH:9]1[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][N:17]2[C:26]3[C:21](=[CH:22][CH:23]=[C:24]([O:27][CH3:28])[CH:25]=3)[CH:20]=[C:19]([C:29]([O:31][CH3:32])=[O:30])[C:18]2=[O:33])[CH2:11][CH2:10]1)=O)(C)(C)C.FC(F)(F)C(O)=O>C(Cl)(Cl)Cl>[O:39]1[C:38]2[CH:43]=[CH:44][C:35]([CH2:34][NH:8][CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][N:17]4[C:26]5[C:21](=[CH:22][CH:23]=[C:24]([O:27][CH3:28])[CH:25]=5)[CH:20]=[C:19]([C:29]([O:31][CH3:32])=[O:30])[C:18]4=[O:33])[CH2:13][CH2:14]3)=[CH:36][C:37]=2[O:42][CH2:41][CH2:40]1 | 1 |
C1(=CC=CC=C1)C(C(=O)O)CC.C(C)OC1=CC2=C(N=C(S2)N)C=C1>>C(C)OC1=CC2=C(N=C(S2)NC(C(CC)C2=CC=CC=C2)=O)C=C1 | 5 |
[OH:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][C:3]=1[O:13][CH3:14].[CH:15]1(Br)[CH2:19][CH2:18][CH2:17][CH2:16]1.C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH:15]1([O:1][C:2]2[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][C:3]=2[O:13][CH3:14])[CH2:19][CH2:18][CH2:17][CH2:16]1 | 1 |
C(C)(C)OC(=O)C1=NC(=CC2=CC(=CC=C12)OC)NC1=NNC(=C1)C>>COC=1C=C2C=C(N=C(C2=CC1)C(=O)O)NC1=NNC(=C1)C | 5 |
FC(CI)(F)F.C1(CC1)NC1=NC(=NC=C1C(=O)N)NC1=CC=C(C=C1)C1CCNCC1>>C1(CC1)NC1=NC(=NC=C1C(=O)N)NC1=CC=C(C=C1)C1CCN(CC1)CC(F)(F)F | 5 |
C(C)(C)(C)[Si](OC(C)C1OCC(=CC1)B1OC(C(O1)(C)C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1.BrC1=C(C=C2C(N(NC2=C1)C)=O)F>O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C(C)(=O)OCC.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC(C)C1CC=C(CO1)C1=C(C=C2C(N(NC2=C1)C)=O)F | 3 |
FC=1C=C(C(=O)O)C=C(C1C)C=1C=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C1F.Cl.C(C1=CC=CC=C1)OC1CC(C1)(N)C1=NC=CC=N1>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C1=CC=CC=C1)OC1CC(C1)(C1=NC=CC=N1)NC(=O)C=1C=C(C(=C(C1)C=1C=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C1F)C)F | 3 |
C(C)(C)(C)OC(=O)N1CCC=2C(=C(N3N=CC=C3N2)N2CCOCCC2)CC1>ClCCl.Cl.O1CCOCC1>O1CCN(CCC1)C=1N2N=CC=C2N=C2C1CCNCC2 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:17]=[O:18])[C:5]([C:8]2[C:9]([CH:15]=[O:16])=[CH:10][C:11]([Br:14])=[CH:12][CH:13]=2)=[CH:6][CH:7]=1.[BH4-].[Na+]>C1COCC1.CO>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([Br:14])=[CH:10][C:9]=2[CH2:15][OH:16])=[C:4]([CH2:17][OH:18])[CH:3]=1 | 1 |
FC(C1=C(CBr)C=CC=C1)(F)F.COC1=CC=C(C=C1)N1C2(NC3=CC=CC=C3C1=O)CCNCC2>>COC1=CC=C(C=C1)N1C2(NC3=CC=CC=C3C1=O)CCN(CC2)CC2=C(C=CC=C2)C(F)(F)F | 5 |
OC(C(F)(F)F)=O.[CH2:8]1[C:17]2[C:12](=[CH:13][C:14]([CH:18]([NH:20][C:21](=[O:23])[CH3:22])[CH3:19])=[CH:15][CH:16]=2)[CH2:11][CH2:10][NH:9]1.[Br:24][C:25]1[CH:30]=[C:29]([CH2:31]Br)[CH:28]=[CH:27][C:26]=1[O:33][CH:34]([CH3:36])[CH3:35]>>[Br:24][C:25]1[CH:30]=[C:29]([CH:28]=[CH:27][C:26]=1[O:33][CH:34]([CH3:36])[CH3:35])[CH2:31][N:9]1[CH2:10][CH2:11][C:12]2[C:17](=[CH:16][CH:15]=[C:14]([CH:18]([NH:20][C:21](=[O:23])[CH3:22])[CH3:19])[CH:13]=2)[CH2:8]1 | 2 |
CN.C(#N)CCOP1(OC[C@@H]2[C@@H](OP(OC[C@H]3O[C@H]([C@H](O1)[C@@H]3F)N3C=1N=C(NC(C1N=C3)=O)NC(C(C)C)=O)(S)=O)[C@H]([C@@H](O2)N2C=3N1C(NC(C3N=C2)=O)=NC=C1)O[Si](C(C)C)(C(C)C)C(C)C)=S>CCO[H]>NC=1NC(C=2N=CN(C2N1)[C@H]1[C@@H]2OP(OC[C@@H]3[C@@H](OP(OC[C@@H](O1)[C@H]2F)(S)=O)[C@H]([C@@H](O3)N3C=2N1C(NC(C2N=C3)=O)=NC=C1)O[Si](C(C)C)(C(C)C)C(C)C)(S)=O)=O | 3 |
ClC=1C(=C(C=NC1)O)C=NC1=CC(=C(C=C1)F)Cl>>ClC1=C2C(=CN=C1)OC(=C2NC2=CC(=C(C=C2)F)Cl)N | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([O:10][C:11]2[C:19]3[N:18]=[N:17][N:16](CC4C=CC(OC)=CC=4)[C:15]=3[CH:14]=[CH:13][C:12]=2[Cl:29])[CH:9]=1)[C:5]#[N:6]>C(O)(C(F)(F)F)=O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([O:10][C:11]2[C:19]3[N:18]=[N:17][NH:16][C:15]=3[CH:14]=[CH:13][C:12]=2[Cl:29])[CH:9]=1)[C:5]#[N:6] | 1 |
CI.CC1=CC(=O)NC2=C1C=CC(=C2)N>>NC1=CC=C2C(=CC(N(C2=C1)C)=O)C | 5 |
C(C1=CC=CC=C1)ON1C(C=C(C2=C1N=CN=C2C)NC(C)C2=NC=CC=C2)=O>>ON1C(C=C(C2=C1N=CN=C2C)NC(C)C2=NC=CC=C2)=O | 5 |
[C:1]([NH:4][C:5]1[C:10]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[CH:9][CH:8]=[CH:7][C:6]=1[NH:19][CH2:20][C:21]([O:23][CH2:24][CH3:25])=[O:22])(=O)[CH3:2].OS(O)(=O)=O.[OH-].[Na+]>CCO>[CH2:12]([O:11][C:10]1[C:5]2[N:4]=[C:1]([CH3:2])[N:19]([CH2:20][C:21]([O:23][CH2:24][CH3:25])=[O:22])[C:6]=2[CH:7]=[CH:8][CH:9]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
Cl.N(N)CC(=O)OCC.C(=O)C(C(=O)OCC)C>>OC1=C(C=NN1CC(=O)OCC)C | 5 |
CN1C2C(C(O)=O)=CCC1CC2.[CH3:13][N:14]1[C@H:18]2[C@@H:19]([C:31]([O:33]C)=[O:32])[C@@H:20]([O:22]C(C3C=CC=CC=3)=O)[CH2:21][C@@H:15]1[CH2:16][CH2:17]2.P(Cl)(Cl)(Cl)=O>Cl>[CH3:13][N:14]1[C@H:18]2[C@@H:19]([C:31]([OH:33])=[O:32])[C@@H:20]([OH:22])[CH2:21][C@@H:15]1[CH2:16][CH2:17]2 | 1 |
[C-]#N.[Zn+2].[C-]#N.BrC=1C=C(C=NC1)N1N=C(C(=C1)C(=O)NC1=NC(=CC=C1)C1=NN=CN1C(C)C)C(F)F>[Zn].CN(C(C)=O)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>C(#N)C=1C=C(C=NC1)N1N=C(C(=C1)C(=O)NC1=NC(=CC=C1)C1=NN=CN1C(C)C)C(F)F | 3 |
C(C1=CC=CC=C1)OC(=O)N1CC2C(C1)C(CC2)(O)COCC2=CC=CC=C2>CO[H].CCO[H].[HH].[Pd]>OCC1(CCC2CNCC21)O | 3 |
O=C1N(C(C=2NC(=NC2N1CCC)C12CCCC(CCC1)(C2)C(=O)O)=O)CCC>>OCC12CCCC(CCC1)(C2)C2=NC=1N(C(N(C(C1N2)=O)CCC)=O)CCC | 5 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.OC(CCNC(OC(C)(C)C)=O)[C@H](CO)NC(OC(C)(C)C)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>O=C1N(C(C2=CC=CC=C12)=O)C[C@@H](C(CCNC(OC(C)(C)C)=O)O)NC(OC(C)(C)C)=O | 3 |
COCOC1=CC=CC2=C1C1(CC1)CO2>>C12(CC1)COC=1C2=C(C=CC1)O | 5 |
C(C)(C)OC(=O)N1CCC(CC1)OC1=NC=NC(=C1OC)Cl.CC1=NC(=CC=C1N)N1N=CN=C1>>C(C)(C)OC(=O)N1CCC(CC1)OC1=NC=NC(=C1OC)NC=1C(=NC(=CC1)N1N=CN=C1)C | 5 |
CC1(OB(OC1(C)C)/C=C/C(=O)OCC)C.C[C@]12CC[C@@]3([C@@H]([C@H]2CCC2[C@]4(CC=C(C([C@@H]4CC[C@@]12C)(C)C)OS(=O)(=O)C(F)(F)F)C)[C@@H](CC3)C(=C)C)C(=O)OCC3=CC=CC=C3>>C(C)OC(/C=C/C=1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5([C@@H]([C@H]4CCC3[C@]2(CC1)C)[C@@H](CC5)C(=C)C)C(=O)OCC5=CC=CC=C5)C)C)(C)C)=O | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C=1N=NN(N1)C1=CC=C(C=C1)C>Cl.[OH-].[Na+].[HH].O1CCOCC1>C1(=CC=C(C=C1)N1N=C(N=N1)C1CCNCC1)C | 3 |
[I:1][C:2]1[CH:3]=[C:4]([NH:9][C:10](=[O:23])[C:11]2[CH:16]=[CH:15][C:14]([N:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[N:13][CH:12]=2)[CH:5]=[CH:6][C:7]=1[CH3:8].[C@H:24]1([C:33](O)=[O:34])[CH2:29][CH2:28][C@H:27]([C:30]([OH:32])=[O:31])[CH2:26][CH2:25]1.CCN=C=NCCCN(C)C>CN(C=O)C>[I:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]([C:11]2[CH:16]=[CH:15][C:14]([N:17]3[CH2:18][CH2:19][N:20]([C:33]([CH:24]4[CH2:25][CH2:26][CH:27]([C:30]([OH:32])=[O:31])[CH2:28][CH2:29]4)=[O:34])[CH2:21][CH2:22]3)=[N:13][CH:12]=2)=[O:23])[CH:5]=[CH:6][C:7]=1[CH3:8] | 1 |
[CH3:1][O:2][C:3]([C:5]1[S:13][C:8]2=[CH:9][N:10]=[CH:11][CH:12]=[C:7]2[C:6]=1[NH2:14])=[O:4].[Cl:15][C:16]1[CH:17]=[C:18]([CH:20]=[CH:21][C:22]=1[F:23])N.C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd]>[Cl:15][C:16]1[CH:17]=[C:18]([NH:14][C:6]2[C:7]3[C:8](=[CH:9][N:10]=[CH:11][CH:12]=3)[S:13][C:5]=2[C:3]([O:2][CH3:1])=[O:4])[CH:20]=[CH:21][C:22]=1[F:23] | 2 |
C(#N)C=1C=C(C=NC1NC(C)C)C(=O)OCC>O.CO[H].[OH-].[Li+]>C(#N)C=1C=C(C=NC1NC(C)C)C(=O)O | 3 |
[Si](C)(C)(C(C)(C)C)OCCBr.FC=1C=C(C=CC1)CCCN>CC#N.C([O-])([O-])=O.[K+].[K+]>[Si](C)(C)(C(C)(C)C)OCCNCCCC1=CC(=CC=C1)F | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:11][CH:10]([N:12]3[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][OH:20])[CH2:14][CH2:13]3)[C:9]3[CH:21]=[C:22]([CH:25]([CH3:27])[CH3:26])[CH:23]=[CH:24][C:8]=3[S:7][C:6]=2[CH:28]=1.[CH3:29][O:30][C:31]1[CH:32]=[C:33]([CH:37]=[C:38]([O:42][CH3:43])[C:39]=1[O:40][CH3:41])[C:34](Cl)=[O:35].O>C(Cl)(Cl)Cl>[F:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:11][CH:10]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][O:20][C:34](=[O:35])[C:33]4[CH:32]=[C:31]([O:30][CH3:29])[C:39]([O:40][CH3:41])=[C:38]([O:42][CH3:43])[CH:37]=4)[CH2:16][CH2:17]3)[C:9]3[CH:21]=[C:22]([CH:25]([CH3:26])[CH3:27])[CH:23]=[CH:24][C:8]=3[S:7][C:6]=2[CH:28]=1 | 1 |
BrC=1C(=C(C#N)C=CC1)F.CN1C(=NN=C1)C1[C@H]2CNC[C@@H]12>CS(=O)C.C(C)(C)N(C(C)C)CC>BrC=1C(=C(C#N)C=CC1)N1C[C@H]2C([C@H]2C1)C1=NN=CN1C | 3 |
[CH3:1][O:2][C:3](=[O:28])[CH2:4][C:5]1[CH:14]=[C:13]([CH:15]([OH:26])[C:16]2[CH:21]=[CH:20][C:19]([S:22]([CH3:25])(=[O:24])=[O:23])=[CH:18][CH:17]=2)[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:27])[CH:11]=2)[CH:6]=1.[CH3:29]O>S(=O)(=O)(O)O>[CH3:1][O:2][C:3](=[O:28])[CH2:4][C:5]1[CH:14]=[C:13]([CH:15]([C:16]2[CH:17]=[CH:18][C:19]([S:22]([CH3:25])(=[O:24])=[O:23])=[CH:20][CH:21]=2)[O:26][CH3:29])[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:27])[CH:11]=2)[CH:6]=1 | 1 |
[Mg].Br[C:3]1[CH:4]=[C:5]([O:9]C)[CH:6]=[CH:7][CH:8]=1.CC(=[CH:15][CH2:16][CH3:17])C=O>BrC1C=C(OC)C=CC=1.C1COCC1.[Cu]I>[CH:5]([O:9][CH:16]([CH3:15])[CH3:17])([CH3:6])[CH3:4].[CH3:5][CH2:4][CH2:3][CH2:8][CH2:7][CH3:6] | 1 |
ClC1=NC=CC=C1[N+](=O)[O-].Cl.Cl.N1C=NC=2CNCCC21>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C(=NC=CC1)N1CC2=C(CC1)NC=N2 | 3 |
[C:1]([C:4]1[CH:15]=[CH:14][C:7]([CH:8]=[N:9][NH:10][C:11](=[S:13])[NH2:12])=[C:6]([NH2:16])[CH:5]=1)(=[O:3])[CH3:2].Br[CH2:18][C:19]([C:21]1[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][CH:22]=1)=O>C1COCC1>[NH2:16][C:6]1[CH:5]=[C:4]([C:1](=[O:3])[CH3:2])[CH:15]=[CH:14][C:7]=1[CH:8]=[N:9][NH:10][C:11]1[S:13][CH:18]=[C:19]([C:21]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][CH:22]=2)[N:12]=1 | 2 |
C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)C3=C(C=CC=C3F)OC(=O)OC(C)(C)C)F.C[C@@H]1NCC1>CC#N.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)C3=C(C=CC=C3O)F)N3[C@H](CC3)C | 3 |
C(O[C:5](=[O:7])[CH3:6])(=O)C.[CH2:8]([N:11]1[C:19](=[O:20])[C:18]2[C:13](=[N:14][C:15]([NH:21][C:22]3[CH:27]=[CH:26][C:25]([N:28]4[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]4)=[CH:24][CH:23]=3)=[N:16][CH:17]=2)[N:12]1[C:35]1[CH:40]=[CH:39][CH:38]=[C:37]([NH2:41])[N:36]=1)[CH:9]=[CH2:10]>N1C=CC=CC=1>[CH2:8]([N:11]1[C:19](=[O:20])[C:18]2[C:13](=[N:14][C:15]([NH:21][C:22]3[CH:23]=[CH:24][C:25]([N:28]4[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]4)=[CH:26][CH:27]=3)=[N:16][CH:17]=2)[N:12]1[C:35]1[N:36]=[C:37]([NH:41][C:5](=[O:7])[CH3:6])[CH:38]=[CH:39][CH:40]=1)[CH:9]=[CH2:10] | 1 |
Br[C:2]1[N:7]2[CH:8]=[C:9]([CH2:11][OH:12])[N:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1.[NH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1>>[N:13]1([C:2]2[N:7]3[CH:8]=[C:9]([CH2:11][OH:12])[N:10]=[C:6]3[CH:5]=[CH:4][CH:3]=2)[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1 | 2 |
Cl.[F:2][C:3]1[CH:4]=[C:5]2[C:14](=[CH:15][CH:16]=1)[C:8]1([CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)[O:7][C:6]2=[O:17].[C:18]1([C:24]2[N:25]=[CH:26][C:27]([NH:30][C:31](=O)[O:32]C3C=CC=CC=3)=[N:28][CH:29]=2)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C(N(CC)CC)C.O>C(Cl)(Cl)Cl>[F:2][C:3]1[CH:4]=[C:5]2[C:14](=[CH:15][CH:16]=1)[C:8]1([CH2:13][CH2:12][N:11]([C:31]([NH:30][C:27]3[CH:26]=[N:25][C:24]([C:18]4[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=4)=[CH:29][N:28]=3)=[O:32])[CH2:10][CH2:9]1)[O:7][C:6]2=[O:17] | 1 |
Cl.[Cl:2][C:3]1[C:8]([C:9]2[C:10](=[O:16])[NH:11][C:12](=[O:15])[NH:13][CH:14]=2)=[CH:7][C:6]([F:17])=[CH:5][N:4]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:25][CH2:26][CH:27]([O:30][CH3:31])[O:28][CH3:29].O>CN(C=O)C>[CH3:29][O:28][CH:27]([O:30][CH3:31])[CH2:26][CH2:25][N:13]1[CH:14]=[C:9]([C:8]2[C:3]([Cl:2])=[N:4][CH:5]=[C:6]([F:17])[CH:7]=2)[C:10](=[O:16])[NH:11][C:12]1=[O:15] | 1 |
FC(C(=O)N1C(CCC1)CI)(F)F>C1CCCO1.C([O-])([O-])=O.[Na+].[Na+].CNC>CN(C)CC1N(CCC1)C(C(F)(F)F)=O | 3 |
N1CC(C1)OC=1C=CC(=NC1)NC=1C(N(C=C(C1)Br)C)=O>>BrC=1C=C(C(N(C1)C)=O)NC1=NC=C(C=C1)OC1CN(C1)C | 5 |
ClC=1C(=NC=C(C1)C(NC=1SC(=C(N1)C=1SC=C(C1)Cl)CNC1CCC1)=O)N1CCC(CC1)C(=O)OCC>>ClC=1C(=NC=C(C1)C(NC=1SC(=C(N1)C=1SC=C(C1)Cl)CN(C)C1CCC1)=O)N1CCC(CC1)C(=O)OCC | 5 |
N1N=C(C=C1)C(=O)O.C(#N)C1=CC(=NC=C1)C(=O)NC=1C=C2C(=CN(C2=CC1)C)C1CNCCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>N1N=CC(=C1)C(=O)N1CC(CCC1)C1=CN(C2=CC=C(C=C12)NC(C1=NC=CC(=C1)C#N)=O)C | 3 |
[CH:1]1([C:7]2([C:20]([OH:22])=[O:21])[CH2:13][CH:12]3[N:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH:9]([CH2:10][CH2:11]3)[CH2:8]2)[CH2:6][CH2:5][CH2:4][CH:3]=[CH:2]1>CO.O=[Pt]=O>[CH:1]1([C:7]2([C:20]([OH:22])=[O:21])[CH2:13][CH:12]3[N:14]([C:15]([O:17][CH2:18][CH3:19])=[O:16])[CH:9]([CH2:10][CH2:11]3)[CH2:8]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
C(C=C)(=O)O.OCCNC1=CC=CC=C1>>C(C=C)(=O)OCCNC1=CC=CC=C1 | 5 |
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