smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][CH2:2][CH2:3][C:4]1[CH:5]=[C:6]([CH:16]=[CH:17][CH:18]=1)[O:7][C:8]([CH3:15])([CH3:14])[C:9]([O:11][CH2:12][CH3:13])=[O:10].Br[C:20]1[C:21](=[O:35])[N:22]([CH3:34])[C:23](=[O:33])[N:24]([CH2:26][CH2:27][CH2:28][C:29]([F:32])([F:31])[F:30])[N:25]=1.C(N(CC)CC)C>C(O)CCC.O>[CH3:14][C:8]([O:7][C:6]1[CH:16]=[CH:17][CH:18]=[C:4]([CH2:3][CH2:2][NH:1][C:20]2[C:21](=[O:35])[N:22]([CH3:34])[C:23](=[O:33])[N:24]([CH2:26][CH2:27][CH2:28][C:29]([F:30])([F:31])[F:32])[N:25]=2)[CH:5]=1)([CH3:15])[C:9]([O:11][CH2:12][CH3:13])=[O:10] | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)C1=C(C(=C(C(=C1F)F)F)F)F>>NC1=CC=C(C=C1)C1=C(C(=C(C(=C1F)F)F)F)F | 5 |
BrC=1C=C(C(=NC1)C)Cl>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>ClC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)C | 3 |
C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C[Si]([N:24]=[N+:25]=[N-:26])(C)C.[C:27]([CH2:29][CH2:30][NH:31][C:32](=O)[CH2:33][N:34]([CH2:42][CH3:43])[C:35](=[O:41])[O:36][C:37]([CH3:40])([CH3:39])[CH3:38])#[N:28].CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1.CCOC(C)=O>[C:27]([CH2:29][CH2:30][N:31]1[C:32]([CH2:33][N:34]([CH2:42][CH3:43])[C:35](=[O:41])[O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[N:26][N:25]=[N:24]1)#[N:28] | 2 |
FC1=C(C#N)C=C(C=C1)C=C>O.[OH-].[Na+].BrN1C(CCC1=O)=O.O1CCOCC1.C(O)([O-])=O.[Na+]>FC1=C(C#N)C=C(C=C1)C1OC1 | 3 |
O[Li].O.[CH3:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]([NH:11][CH2:12][CH2:13][CH2:14][O:15][C:16]2[CH:37]=[CH:36][C:19]3[CH2:20][C@@H:21]([CH2:31][C:32]([O:34]C)=[O:33])[C:22](=[O:30])[N:23]([CH2:25][C:26]([F:29])([F:28])[F:27])[CH2:24][C:18]=3[CH:17]=2)[CH:6]=1>C1COCC1.O>[CH3:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]([NH:11][CH2:12][CH2:13][CH2:14][O:15][C:16]2[CH:37]=[CH:36][C:19]3[CH2:20][C@@H:21]([CH2:31][C:32]([OH:34])=[O:33])[C:22](=[O:30])[N:23]([CH2:25][C:26]([F:27])([F:28])[F:29])[CH2:24][C:18]=3[CH:17]=2)[CH:6]=1 | 2 |
C(C1=CC=CC=C1)S.BrC1=CC(=NC=C1)C1CCC1>O1CCOCC1.C(C)(C)N(C(C)C)CC.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(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1>C(C1=CC=CC=C1)SC1=CC(=NC=C1)C1CCC1 | 3 |
C(C)OC(=O)C1=CNC(=C1C)C=O>O.CCO[H].[OH-].[K+]>C(=O)C1=C(C(=CN1)C(=O)O)C | 3 |
COCCOCCOCCN.NC=1C=C(C(=O)O)C=C(C1)OC>CCN(CC)CC.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>NC=1C=C(C(=O)NCCOCCOCCOC)C=C(C1)OC | 3 |
[Cl:1][CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:7]=1[CH2:8][CH2:9][C:10](=[O:16])[NH:11]2.[CH:17]1[CH:18]=[CH:19][C:20]([N:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)=[CH:21][CH:22]=1.C1(C)C=CC=CC=1.CCCCCC>C(Cl)(Cl)Cl>[ClH:1].[C:20]1([N:23]2[CH2:28][CH2:27][N:26]([CH2:2][CH2:3][CH2:4][O:5][C:6]3[CH:15]=[CH:14][CH:13]=[C:12]4[C:7]=3[CH2:8][CH2:9][C:10](=[O:16])[NH:11]4)[CH2:25][CH2:24]2)[CH:21]=[CH:22][CH:17]=[CH:18][CH:19]=1 | 1 |
C(C1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=C(C(=NC(=C1)N)N)\N=N\C1=CC=C(C=C1)Cl>CCO[H].[Zn].C(C)(=O)O>C(C1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=C(C(=NC(=C1)N)N)N | 3 |
NC=1SC=NN1.C(C1=CC=CC=C1)OC(=O)NC(C(=O)O)CC(C)C>O1CCOCC1.C1(CCCCC1)N=C=NC1CCCCC1>C(C1=CC=CC=C1)OC(=O)NC(CC(C)C)C(=O)NC=1SC=NN1 | 3 |
CC=1N=CNC1.ClC1=C(C=C(C=C1)[N+](=O)[O-])C>>CC=1N=CN(C1)C1=C(C=C(C=C1)[N+](=O)[O-])C | 5 |
OC[CH2:3][C:4](C)([S:6][C:7]1[CH:15]=[CH:14][C:10]([C:11](O)=[O:12])=[CH:9][C:8]=1[N+:16]([O-:18])=[O:17])[CH3:5].S(Cl)([Cl:22])=O.Cl[CH2:25][CH2:26][Cl:27]>>[Cl:27][CH2:26][CH2:25][C:4]([CH3:5])([S:6][C:7]1[CH:15]=[CH:14][C:10]([C:11]([Cl:22])=[O:12])=[CH:9][C:8]=1[N+:16]([O-:18])=[O:17])[CH3:3] | 1 |
[CH:1]1([N:7]2[C:12](=[O:13])[CH:11]=[C:10]([C:14]([F:17])([F:16])[F:15])[N:9]=[C:8]2SC)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[F:20][C:21]([F:34])([F:33])[C:22]1[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][C:23]=1[NH2:24]>>[F:20][C:21]([F:33])([F:34])[C:22]1[CH:28]=[CH:27][C:26]([C:29]([F:31])([F:32])[F:30])=[CH:25][C:23]=1[NH:24][C:8]1[N:7]([CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[C:12](=[O:13])[CH:11]=[C:10]([C:14]([F:17])([F:16])[F:15])[N:9]=1 | 1 |
Cl.CN.CC(C=O)(C)C1=C(C=CC=C1)C>O.CO[H].[C-]#N.[K+]>CC(C(C#N)NC)(C)C1=C(C=CC=C1)C | 3 |
C(C=C)OP(=O)(OCC=C)OCC1=C(C(=O)OCC2=CC=C(C=C2)OC)C=C(C=C1)F>>C(C=C)OP(=O)(OCC=C)OCC1=C(C(=O)O)C=C(C=C1)F | 5 |
COC(=O)N[C@@H](C(C)C)C(=O)O.BrC1=CC=C(C=C1)C1=CN=C(N1)[C@H]1NC[C@H](CC1)C>>COC(N[C@@H](C(C)C)C(=O)N1[C@@H](CC[C@@H](C1)C)C=1NC(=CN1)C1=CC=C(C=C1)Br)=O | 5 |
[CH3:1]C(C)([O-])C.[K+].[OH:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:14]1[O:18][C:17](=[O:19])[NH:16][N:15]=1.CI>CN(C=O)C>[OH:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:14]1[O:18][C:17](=[O:19])[N:16]([CH3:1])[N:15]=1 | 1 |
C(C)C1=C(C=C(C=C1)CC(=O)OCC)OC>ClCCl>OC=1C=C(C=CC1CC)CC(=O)OCC | 3 |
C(C1=CC=CC=C1)OC1=NC(=CC(=C1C=O)CC)C>CO[H].[Na+].[BH4-]>C(C1=CC=CC=C1)OC1=NC(=CC(=C1CO)CC)C | 3 |
[CH2:1]([O:5][C:6]1[CH:36]=[CH:35][C:9]2[C:10]3[C:27]4([O:32][CH2:31][C:30]([CH3:34])([CH3:33])[CH2:29][O:28]4)[C:11]=3[C:12]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][OH:26])=[CH:16][C:13]=3[CH2:14][CH2:15][C:8]=2[CH:7]=1)[CH2:2][CH2:3][CH3:4].N1C=CC=CC=1.Cl[C:44]([O:46][C:47]1[CH:52]=[CH:51][C:50]([N+:53]([O-:55])=[O:54])=[CH:49][CH:48]=1)=[O:45]>C(Cl)Cl>[C:44](=[O:45])([O:46][C:47]1[CH:48]=[CH:49][C:50]([N+:53]([O-:55])=[O:54])=[CH:51][CH:52]=1)[O:26][CH2:25][CH2:24][O:23][CH2:22][CH2:21][O:20][C:17]1[CH:18]=[CH:19][C:12]2[C:11]3[C:27]4([O:32][CH2:31][C:30]([CH3:34])([CH3:33])[CH2:29][O:28]4)[C:10]=3[C:9]3[CH:35]=[CH:36][C:6]([O:5][CH2:1][CH2:2][CH2:3][CH3:4])=[CH:7][C:8]=3[CH2:15][CH2:14][C:13]=2[CH:16]=1 | 1 |
ClCCCOC1=CC(=C(C=C1OC)NC1CCOCC1)[N+](=O)[O-]>C(C)(=O)OCC.[Al].[Ni]>ClCCCOC=1C=C(C(=CC1OC)NC1CCOCC1)N | 3 |
[CH2:1]([N:13]1[N:17]=[N:16][C:15]([NH:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[N:14]1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].ClC(Cl)(O[C:29](=[O:35])OC(Cl)(Cl)Cl)Cl.[F:37][C:38]1[CH:44]=[C:43]([F:45])[CH:42]=[CH:41][C:39]=1[NH2:40]>>[F:37][C:38]1[CH:44]=[C:43]([F:45])[CH:42]=[CH:41][C:39]=1[NH:40][C:29](=[O:35])[N:18]([C:15]1[N:16]=[N:17][N:13]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[N:14]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 1 |
[CH3:1][O:2][C:3]1[C:12]([NH:13][C:14](=[S:16])[O-])=[CH:11][C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[N:4]=1.[CH3:17][O:18][C:19]1[CH:20]=[C:21]([N:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)[CH:22]=[C:23]([O:25][CH3:26])[CH:24]=1>>[CH3:1][O:2][C:3]1[C:12]([NH:13][C:14]([N:30]2[CH2:29][CH2:28][N:27]([C:21]3[CH:20]=[C:19]([O:18][CH3:17])[CH:24]=[C:23]([O:25][CH3:26])[CH:22]=3)[CH2:32][CH2:31]2)=[S:16])=[CH:11][C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[N:4]=1 | 1 |
C(N)(=O)C=1C=C2C(=CN=C(C2=CC1OC)OC[C@H]1NC([C@H]([C@H]1CC)F)=O)C#CC1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C>>C(C)[C@H]1[C@H](NC([C@H]1F)=O)COC1=NC=C(C2=CC(=C(C=C12)OC)C(=O)N)C#CC1CCN(CC1)CC1CCNCC1 | 5 |
C1(CC1)S(=O)(=O)Cl.FC1=C(C=CC(=C1)I)N1C(NC2=CN(C(C(=C21)C)=O)C)=O>N(C)(C)C=O.C1CCCO1.[H-].[Na+]>FC1=C(C=CC(=C1)I)NC=1C(=CN(C(C1C)=O)C)NS(=O)(=O)C1CC1 | 3 |
[CH:1]([C:4]1[CH:12]=[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][N:6]2[N:5]=1)([CH3:3])[CH3:2].[C:13](Cl)(=[O:16])[CH2:14][CH3:15].[Al+3].[Cl-].[Cl-].[Cl-]>C(=S)=S>[CH:1]([C:4]1[C:12]([C:13](=[O:16])[CH2:14][CH3:15])=[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][N:6]2[N:5]=1)([CH3:3])[CH3:2] | 1 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([N:10]([CH2:23][CH2:24][CH2:25][N:26]2[CH2:31][CH2:30][CH:29]([CH2:32][C:33]3[CH:38]=[CH:37][C:36]([C:39]4[N:40]=[N:41][N:42](C(C5C=CC=CC=5)(C5C=CC=CC=5)C5C=CC=CC=5)[N:43]=4)=[CH:35][CH:34]=3)[CH2:28][CH2:27]2)[C:11]([CH:13]2[CH2:18][CH2:17][N:16]([S:19]([CH3:22])(=[O:21])=[O:20])[CH2:15][CH2:14]2)=[O:12])[CH:6]=[CH:7][C:8]=1[Cl:9]>C(OCC)(=O)C.C(OCC)(=O)C.CO>[ClH:2].[Cl:2][C:3]1[CH:4]=[C:5]([N:10]([CH2:23][CH2:24][CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([CH2:32][C:33]3[CH:34]=[CH:35][C:36]([C:39]4[N:40]=[N:41][NH:42][N:43]=4)=[CH:37][CH:38]=3)[CH2:30][CH2:31]2)[C:11]([CH:13]2[CH2:14][CH2:15][N:16]([S:19]([CH3:22])(=[O:20])=[O:21])[CH2:17][CH2:18]2)=[O:12])[CH:6]=[CH:7][C:8]=1[Cl:9] | 1 |
[CH3:1][C:2]1[C:6]2[C:7](=[O:20])[N:8]([CH2:12][CH2:13][N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[CH2:9][CH2:10][CH2:11][C:5]=2[NH:4][C:3]=1[CH:21]=O.[Cl:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[C:25]=1[CH2:31][S:32]([C:35]1[CH:36]=[C:37]2[C:41](=[CH:42][CH:43]=1)[NH:40][C:39](=[O:44])[CH2:38]2)(=[O:34])=[O:33].N1CCCCC1>C(O)C>[Cl:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[C:25]=1[CH2:31][S:32]([C:35]1[CH:36]=[C:37]2[C:41](=[CH:42][CH:43]=1)[NH:40][C:39](=[O:44])/[C:38]/2=[CH:21]\[C:3]1[NH:4][C:5]2[CH2:11][CH2:10][CH2:9][N:8]([CH2:12][CH2:13][N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[C:7](=[O:20])[C:6]=2[C:2]=1[CH3:1])(=[O:33])=[O:34] | 2 |
[CH3:1][N:2]([CH3:33])[C:3]1[CH:29]=[CH:28][C:6]([C:7]([NH:9][C:10]2[C:15]([CH3:16])=[CH:14][C:13]([C:17]([F:26])([C:22]([F:25])([F:24])[F:23])[C:18]([F:21])([F:20])[F:19])=[CH:12][C:11]=2[CH3:27])=[O:8])=[CH:5][C:4]=1[N+:30]([O-])=O.[Sn](Cl)(Cl)(Cl)Cl.Cl>C(O)(C)C>[NH2:30][C:4]1[CH:5]=[C:6]([CH:28]=[CH:29][C:3]=1[N:2]([CH3:33])[CH3:1])[C:7]([NH:9][C:10]1[C:15]([CH3:16])=[CH:14][C:13]([C:17]([F:26])([C:22]([F:23])([F:24])[F:25])[C:18]([F:20])([F:21])[F:19])=[CH:12][C:11]=1[CH3:27])=[O:8] | 1 |
BrC1=C(C=CC=C1)N1C(N(C2=NC(=NC=C2C1)S(=O)(=O)C)C)=O.OCC1COC2=C(O1)C=CC(=C2)N>C(=O)(C(F)(F)F)O.CN1C(CCC1)=O>BrC1=C(C=CC=C1)N1C(N(C2=NC(=NC=C2C1)NC1=CC2=C(OC(CO2)CO)C=C1)C)=O | 3 |
BrC=1C=C(C=NC1)N1N=C(C(=C1)C(=O)O)C(F)F>ClS(Cl)=O>BrC=1C=C(C=NC1)N1N=C(C(=C1)C(=O)Cl)C(F)F | 3 |
Cl[C:2]1[CH:7]=[C:6](Cl)[N:5]=[C:4]([S:9][CH3:10])[N:3]=1.[CH2:11]([NH:13][C:14]1[CH:15]=[C:16]([OH:20])[CH:17]=[CH:18][CH:19]=1)[CH3:12]>>[CH3:10][S:9][C:4]1[N:5]=[C:6]([N:13]([CH2:11][CH3:12])[C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([OH:20])[CH:15]=2)[CH:7]=[C:2]([N:13]([CH2:11][CH3:12])[C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([OH:20])[CH:15]=2)[N:3]=1 | 1 |
OC(C)(C)C1=CC=C(C=C1)C1=NN2C(C(N1)=O)=CC=C2>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CO)O>OCCOC(C)(C)C1=CC=C(C=C1)C1=NN2C(C(N1)=O)=CC=C2 | 3 |
ClC1=C(C=CC=C1)C1=NNC2=NC(=NC(=C21)NC[C@H](C)O)OC2=C(C=C(C=C2)F)F>c1ccncc1.C(Br)(Br)(Br)Br.P(OC)(OC)OC>COP(OC(CNC1=C2C(=NC(=N1)OC1=C(C=C(C=C1)F)F)NN=C2C2=C(C=CC=C2)Cl)C)(OC)=O | 3 |
BrC1=CC(=NC(=C1)CO)NC(OC(C)(C)C)=O>CC#N.O.CS(=O)(=O)Cl.C([O-])([O-])=O.[K+].[K+].C(C)(C)N(C(C)C)CC.CNC>BrC1=CC(=NC(=C1)CN(C)C)NC(OC(C)(C)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[C:12]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[Cl:13])[CH:10]=O)=[CH:5][CH:4]=1.Cl.[NH2:23][OH:24]>N1C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[C:12]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[Cl:13])[CH:10]=[N:23][OH:24])=[CH:5][CH:4]=1 | 1 |
C(C)OC(=O)N1CCN(CC1)C([C@H](CCC(=O)OC(C)(C)C)NC(=O)C1=NN(C(=C1)OCC(=O)OCC1=CC=CC=C1)C1=CC=CC=C1)=O>C(C)(=O)OCC>C(C)OC(=O)N1CCN(CC1)C([C@H](CCC(=O)OC(C)(C)C)NC(=O)C1=NN(C(=C1)OCC(=O)O)C1=CC=CC=C1)=O | 3 |
C(=O)(OC(C)(C)C)N[C@@H](C(C)C)C(=O)O.FC=1C=C(C(=CC1)N)NC=1C=NC=CC1>>C(C)(C)(C)OC(N[C@@H](C(C)C)C(NC1=C(C=C(C=C1)F)NC=1C=NC=CC1)=O)=O | 5 |
[C:1]([O:5][C:6](=[O:20])[NH:7][C@H:8]([CH:11]1[CH2:16][CH2:15][NH:14][CH:13]([C:17](=[O:19])[NH2:18])[CH2:12]1)[CH2:9][CH3:10])([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.[CH2:30]([O:37][C:38](Cl)=[O:39])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>C(Cl)Cl>[CH2:30]([O:37][C:38]([N:14]1[CH2:15][CH2:16][CH:11]([C@@H:8]([NH:7][C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:20])[CH2:9][CH3:10])[CH2:12][CH:13]1[C:17](=[O:19])[NH2:18])=[O:39])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1 | 1 |
Cl.C12NCCC2C1.ClCCCOC=1C=C2C=C(NC2=CC1)C(=O)N1CCOCC1>CC#N.C([O-])([O-])=O.[K+].[K+]>C12N(CCC2C1)CCCOC=1C=C2C=C(NC2=CC1)C(=O)N1CCOCC1 | 3 |
BrCC(C(F)(F)F)O.CC1=NN2C(NC(C(=C2CCC)CC2=CC=C(C=C2)C=2C(=CC=CC2)C#N)=O)=N1>>CC1=NN2C(N(C(C(=C2CCC)CC2=CC=C(C=C2)C=2C(=CC=CC2)C#N)=O)CC(C(F)(F)F)O)=N1 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][C:6]([OH:12])=[C:5]2[C:13](=[N:25]O)[C:14]1[CH:19]=[CH:18][C:17]([C:20]([CH3:24])([CH3:23])[C:21]#[N:22])=[CH:16][CH:15]=1.O>CC(O)=O>[Br:1][C:2]1[CH:11]=[CH:10][C:9]2[N:8]=[CH:7][C:6]3[O:12][N:25]=[C:13]([C:14]4[CH:15]=[CH:16][C:17]([C:20]([CH3:24])([CH3:23])[C:21]#[N:22])=[CH:18][CH:19]=4)[C:5]=3[C:4]=2[CH:3]=1 | 2 |
COCN1C(=CC2=CC(=CC(=C12)N(S(=O)(=O)C=1SC=CC1)C)OC(F)(F)F)C(=O)OCC>>CN(C=1C=C(C=C2C=C(NC12)C(=O)O)OC(F)(F)F)S(=O)(=O)C=1SC=CC1 | 5 |
[C:1]([OH:5])(=[O:4])[CH:2]=[CH2:3].[C:6](N)(=[O:9])C=C.[OH-].[K+].[CH2:13]([CH:19]=[CH:20]C(N)=O)[CH:14]=[CH:15]C(N)=O>O>[CH2:3]=[CH:2][C:1]1[CH:20]=[CH:19][CH:13]=[CH:14][CH:15]=1.[CH:3]1[C:6](=[O:9])[O:5][C:1](=[O:4])[CH:2]=1 | 1 |
C1(CC1)C=1C(=CC(=C(C=O)C1)OCC)N1CCC(CC1)(F)F>>ClC=1C(=C(C=O)C=C(C1N1CCC(CC1)(F)F)C1CC1)OCC | 5 |
[OH:1][C:2]1[CH:9]=[C:8]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2C)[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5].Cl.Cl.NC1C2C(=CC=CC=2O)C(S(O)(=O)=O)=CC=1N.S(=O)(O)[O-].[Na+]>CCO.O>[OH:1][C:2]1[CH:9]=[C:8]([C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5] | 1 |
S(=O)(=O)(O)O.[N+]([C:9]1[CH:10]=C(S(O)(=O)=O)C=C[CH:14]=1)([O-])=O.OCC(CO)O.[Br:25][C:26]1[CH:32]=[CH:31][C:29]([NH2:30])=[CH:28][C:27]=1[O:33][CH3:34]>O>[Br:25][C:26]1[CH:32]=[C:31]2[C:29](=[CH:28][C:27]=1[O:33][CH3:34])[N:30]=[CH:10][CH:9]=[CH:14]2 | 1 |
C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2S(=O)(=O)C2(CCOCC2)CO)Cl>ClCCl.C(O)([O-])=O.[Na+].C(C)N(CC)S(F)(F)F>C(C)(C)(C)C=1OC2=C(N1)C=CC(=C2S(=O)(=O)C2(CCOCC2)CF)Cl | 3 |
COC(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C#N)=O>>C(#N)C=1C=C(C(=O)OC)C=CC1B1OC(C(O1)(C)C)(C)C | 5 |
OC[C@@H]1CCC[C@@H]2SCC[C@@H](C(N21)=O)NC(OC(C)(C)C)=O>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>C(=O)[C@@H]1CCC[C@@H]2SCC[C@@H](C(N21)=O)NC(OC(C)(C)C)=O | 3 |
C(C1=CC=CC=C1)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC(=C(C=C12)CO)F>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Cl)(Cl)(Cl)Cl>C(C1=CC=CC=C1)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC(=C(C=C12)CCl)F | 3 |
[CH3:1][C@@:2]12[O:9][C@@H:6]([CH2:7][CH2:8]1)[C:5](=[O:10])[CH2:4][C:3]2=[O:11].C(Cl)(Cl)Cl.C([O-])(=O)C.C([O-])(=O)C.C([O-])(=O)C.[Cl:28][C:29]1[CH:45]=[CH:44][C:32]([C:33]2[CH:38]=[C:37]([CH2:39][CH3:40])[C:36]([Pb+3])=[C:35]([CH2:42][CH3:43])[CH:34]=2)=[CH:31][CH:30]=1.Cl>CN(C)C1C=CN=CC=1.C1(C)C=CC=CC=1>[Cl:28][C:29]1[CH:30]=[CH:31][C:32]([C:33]2[CH:34]=[C:35]([CH2:42][CH3:43])[C:36]([CH:4]3[C:5](=[O:10])[C@H:6]4[O:9][C@:2]([CH3:1])([CH2:8][CH2:7]4)[C:3]3=[O:11])=[C:37]([CH2:39][CH3:40])[CH:38]=2)=[CH:44][CH:45]=1 | 1 |
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]([O:6][C:7]2[CH:12]=[CH:11][C:10]([C:13](=[O:20])[CH2:14][N:15]3[CH:19]=[N:18][CH:17]=[N:16]3)=[C:9]([C:21]([F:24])([F:23])[F:22])[CH:8]=2)=[CH:4][CH:3]=1.[C:27]([Mg]Br)#[C:28][CH3:29]>C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][C:7]2[CH:12]=[CH:11][C:10]([C:13]([OH:20])([C:27]#[C:28][CH3:29])[CH2:14][N:15]3[CH:19]=[N:18][CH:17]=[N:16]3)=[C:9]([C:21]([F:24])([F:22])[F:23])[CH:8]=2)=[CH:25][CH:26]=1 | 2 |
CI.C(=S)=S.OC1(COC1)C1=NN(C=C1C(=O)OCC)COCC[Si](C)(C)C>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>CSC(=S)OC1(COC1)C1=NN(C=C1C(=O)OCC)COCC[Si](C)(C)C | 3 |
FC1=C(C=CC(=C1)I)C(C)O>>FC1=C(C=CC(=C1)I)C(C)=O | 5 |
Br[C:2]1[CH:3]=[N:4][C:5]2[NH:14][C:13](=[O:15])[C@H:12]3[N:8]([CH2:9][CH2:10][CH2:11]3)[CH2:7][C:6]=2[CH:16]=1.[C:17]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])(=[O:20])[CH:18]=[CH2:19].C(N(C(C)C)C(C)C)C.CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>C(#N)CC.CN(C=O)C.C(Cl)Cl.CC([O-])=O.CC([O-])=O.[Pd+2]>[C:22]([O:21][C:17](=[O:20])/[CH:18]=[CH:19]/[C:2]1[CH:3]=[N:4][C:5]2[NH:14][C:13](=[O:15])[C@H:12]3[N:8]([CH2:9][CH2:10][CH2:11]3)[CH2:7][C:6]=2[CH:16]=1)([CH3:25])([CH3:24])[CH3:23] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:30]=[CH:31][C:32]=1[F:33])[O:5][CH2:6][CH2:7][CH2:8][O:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]2[CH2:21][CH2:20][N:19](C(OC(C)(C)C)=O)[CH2:18][CH:17]2[OH:29])=[CH:12][CH:11]=1.Cl[CH2:35][C:36]1[CH:37]=[CH:38][C:39]2[O:44][CH2:43][C:42](=O)[N:41]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[C:40]=2[CH:51]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:30]=[CH:31][C:32]=1[F:33])[O:5][CH2:6][CH2:7][CH2:8][O:9][C:10]1[CH:11]=[CH:12][C:13]([CH:16]2[CH2:21][CH2:20][NH:19][CH2:18][CH:17]2[O:29][CH2:35][C:36]2[CH:37]=[CH:38][C:39]3[O:44][CH2:43][CH2:42][N:41]([CH2:46][CH2:47][CH2:48][O:49][CH3:50])[C:40]=3[CH:51]=2)=[CH:14][CH:15]=1 | 2 |
CI.C(C1=CC=CC=C1)OC1=C2C=C(NC2=CC(=C1F)F)C(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1=C2C=C(N(C2=CC(=C1F)F)C)C(=O)OC | 3 |
CC=1NC2=C(N1)C=CC=C2.C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=CC=C(C=C1)B(O)O>>CC1=NC2=C(N1C1=CC=C(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C=C1)C=CC=C2 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([N+:9]([O-:11])=[O:10])[CH:5]=[CH:6][C:7]=1F.[C:12]([O:19][CH3:20])(=[O:18])[CH2:13][C:14]([O:16][CH3:17])=[O:15].[OH-].[Na+].Cl>CN1CCCC1=O.O>[CH3:17][O:16][C:14](=[O:15])[CH:13]([C:7]1[CH:6]=[CH:5][C:4]([N+:9]([O-:11])=[O:10])=[CH:3][C:2]=1[Cl:1])[C:12]([O:19][CH3:20])=[O:18] | 1 |
ClC=1C=C(C(=O)OC)C=CC1C1(COCC1)C#N>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(N)(=O)C1(COCC1)C1=C(C=C(C(=O)OC)C=C1)Cl | 3 |
ClCCN=C=O.OC=1C=CC2=C(SC(O2)=O)C1>CCN(CC)CC.C(C)C(=O)C>ClCCNC(=O)OC=1C=CC2=C(SC(O2)=O)C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:12](=[O:14])[CH3:13])[CH:5]=[C:6]([O:10][CH3:11])[C:7]=1[O:8][CH3:9].[Br:15]Br.C(=O)(O)[O-].[K+]>C(Cl)(Cl)Cl>[Br:15][CH2:13][C:12]([C:4]1[CH:5]=[C:6]([O:10][CH3:11])[C:7]([O:8][CH3:9])=[C:2]([Cl:1])[CH:3]=1)=[O:14] | 1 |
FC(C1=C(C(=CS1)C(=O)OC)C)F>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrCC=1C(=CSC1C(F)F)C(=O)OC | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([F:13])[C:11]=1[OH:12])[C:5]([O:7][CH3:8])=[O:6].[CH2:14](Br)[C:15]#[CH:16].C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)C>[F:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([F:13])[C:11]=1[O:12][CH2:16][C:15]#[CH:14])[C:5]([O:7][CH3:8])=[O:6] | 1 |
[CH:1]([C:4]1[CH:11]=[CH:10][C:7]([CH:8]=O)=[CH:6][CH:5]=1)([CH3:3])[CH3:2].[CH:12]([C:15]1[N:20]=[N:19][C:18]([NH2:21])=[CH:17][CH:16]=1)([CH3:14])[CH3:13].C([O:24][C:25](=O)[C:26]([OH:37])=[CH:27][C:28](=[O:36])[C:29]1[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=1)C>>[OH:37][C:26]1[C:25](=[O:24])[N:21]([C:18]2[N:19]=[N:20][C:15]([CH:12]([CH3:14])[CH3:13])=[CH:16][CH:17]=2)[CH:8]([C:7]2[CH:10]=[CH:11][C:4]([CH:1]([CH3:3])[CH3:2])=[CH:5][CH:6]=2)[C:27]=1[C:28](=[O:36])[C:29]1[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=1 | 2 |
COC1=C(C=CC=C1)C1C(CC(NCC1)=O)C1=CC=CC=C1>>COC1=C(C=CC=C1)C1CCNCCC1C1=CC=CC=C1 | 5 |
[Ga:1](I)(I)I.[C:5]([OH:20])(=[O:19])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18]>C=CCCCCCCCCCCCCCCCC>[C:5]([O-:20])(=[O:19])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[Ga+3:1].[C:5]([O-:20])(=[O:19])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[C:5]([O-:20])(=[O:19])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18] | 2 |
ClC1=NC2=CC=CC(=C2C=C1)C(C=[N+]=[N-])=O>CO[H].CCN(CC)CC.C(C1=CC=CC=C1)(=O)[O-].[Ag+]>COC(CC1=C2C=CC(=NC2=CC=C1)Cl)=O | 3 |
ClC1=CC=C2C=C3N(C2=C1Cl)CCCC3=O>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+].C(C)(=O)[O-].[NH4+]>ClC1=CC=C2C=C3N(C2=C1Cl)CCCC3N | 3 |
FC=1C=C(C(=O)O)C=CC1.N1NC(CC1)=O>ClCCl.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC=1C=C(C(=O)N2NC(CC2)=O)C=CC1 | 3 |
C(C1=CC=CC=C1)OCCC(C(F)(F)F)O>O.C1CCCO1>FC(C(CCOCC1=CC=CC=C1)OC)(F)F | 3 |
C[Si]([C:5]#[C:6][Si:7]([CH:12]([CH3:14])[CH3:13])([CH:9]([CH3:11])[CH3:10])Br)(C)C.[CH2:15]([Mg]Cl)[CH:16]=[CH2:17]>C1COCC1>[CH2:15]([Si:7]([C:6]#[CH:5])([CH:12]([CH3:14])[CH3:13])[CH:9]([CH3:11])[CH3:10])[CH:16]=[CH2:17] | 1 |
[Br-].C[Mg+].CON(C(C1=CC=C(C=C1)C1(C2CCC(C1)C2)C2=CC=C(C=C2)OCC2=NC=CC=C2)=O)C>C1CCCO1.C(C)OCC>N1=C(C=CC=C1)COC1=CC=C(C=C1)C1(C2CCC(C1)C2)C2=CC=C(C=C2)C(C)=O | 3 |
FC(C1=CC=C(CN)C=C1)(F)F.O=C1CCC2=CC(=CC=C12)NC(C=C)=O>[OH-].[Na+].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>FC(C1=CC=C(CNC2CCC3=CC(=CC=C23)NC(C=C)=O)C=C1)(F)F | 3 |
BrCC1=CC=C(C=C1)CBr.OC=1C(C=C(OC1)COC1OCCCC1)=O>>BrCC1=CC=C(COC=2C(C=C(OC2)COC2OCCCC2)=O)C=C1 | 5 |
[CH:1]1[C:13]2[CH:12]([CH2:14][O:15][C:16]([NH:18][C@@H:19]([CH2:23][CH2:24][CH2:25][CH2:26][NH2:27])[C:20]([OH:22])=[O:21])=[O:17])[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.CCN([CH:34]([CH3:36])[CH3:35])C(C)C.Cl>C(O)(C(F)(F)F)=O.C(Cl)Cl.CN(C=O)C>[CH:10]1[C:11]2[CH:12]([CH2:14][O:15][C:16]([NH:18][C@@H:19]([CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:14](=[O:15])[CH2:12][CH2:11][CH2:36][C:34]#[CH:35])[C:20]([OH:22])=[O:21])=[O:17])[C:13]3[C:5](=[CH:4][CH:3]=[CH:2][CH:1]=3)[C:6]=2[CH:7]=[CH:8][CH:9]=1 | 2 |
C(C)(=O)C1=CNC2=CC=CC=C12>N(C)(C)C=O.[OH-].[K+]>C(C)(=O)C1=CN(C2=CC=CC=C12)C | 3 |
OC1=NC(=NC(=C1)O)SCCC>O.[N+](=O)(O)[O-]>[N+](=O)([O-])C=1C(=NC(=NC1O)SCCC)O | 3 |
[F:1][C:2]([F:28])([F:27])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]([C:15]([NH:17][C:18]3[CH:19]=[C:20]([C:24]([OH:26])=O)[N:21]([CH3:23])[CH:22]=3)=[O:16])=[CH:11][CH:12]=[CH:13][CH:14]=2)=[CH:5][CH:4]=1.[CH2:29]([O:36][C:37]1[CH:45]=[CH:44][C:40]([CH2:41][NH:42][CH3:43])=[CH:39][CH:38]=1)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)C(C)C)C>CN(C)C=O>[CH2:29]([O:36][C:37]1[CH:38]=[CH:39][C:40]([CH2:41][N:42]([CH3:43])[C:24]([C:20]2[N:21]([CH3:23])[CH:22]=[C:18]([NH:17][C:15]([C:10]3[C:9]([C:6]4[CH:5]=[CH:4][C:3]([C:2]([F:28])([F:27])[F:1])=[CH:8][CH:7]=4)=[CH:14][CH:13]=[CH:12][CH:11]=3)=[O:16])[CH:19]=2)=[O:26])=[CH:44][CH:45]=1)[C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1 | 2 |
CC1N=C(N2C(=O)NN=C2)SC=1C(OCC)=O.[C:18]([C:21]1[S:25][C:24]([N:26]2[CH2:30][CH2:29][NH:28][C:27]2=[O:31])=[N:23][C:22]=1[CH3:32])(=[O:20])[CH3:19].Br[CH2:34][CH:35]1[CH2:37][C:36]1([F:39])[F:38]>>[C:18]([C:21]1[S:25][C:24]([N:26]2[CH2:30][CH2:29][N:28]([CH2:34][CH:35]3[CH2:37][C:36]3([F:39])[F:38])[C:27]2=[O:31])=[N:23][C:22]=1[CH3:32])(=[O:20])[CH3:19] | 1 |
C(N)(=O)C1=C(C=C(N=N1)N[C@H]1[C@H](COCC1)NC(OC(C)(C)C)=O)NC1=NC(=C(C=C1)OC)CCC>ClCCl.C(=O)(C(F)(F)F)O>N[C@H]1COCC[C@H]1NC1=CC(=C(N=N1)C(=O)N)NC1=NC(=C(C=C1)OC)CCC | 3 |
CC1=C(C=NO1)C(=O)O>ClS(Cl)=O>CC1=C(C=NO1)C(=O)Cl | 3 |
C(C1=CC=CC=C1)OC1=CC(N(C=C1)CC(=O)C1=CC=C(C=C1)CBr)=O.C(C1=CC=CC=C1)OC1=CC(N(C=C1)CC(=O)C1=CC(=C(C=C1)CO)F)=O>P(Br)(Br)Br>C(C1=CC=CC=C1)OC1=CC(N(C=C1)CC(=O)C1=CC(=C(C=C1)CBr)F)=O | 3 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:11]3[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=3)=[CH:9][N:10]=2)[N:7]=1.[C:17]1([CH2:23][CH2:24][NH2:25])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>COC1CCCC1>[C:17]1([CH2:23][CH2:24][NH:25][C:2]2[CH:3]=[CH:4][C:5]3[N:6]([C:8]([C:11]4[CH:16]=[CH:15][N:14]=[CH:13][CH:12]=4)=[CH:9][N:10]=3)[N:7]=2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 2 |
Cl.[NH2:2][N:3]=[CH:4][C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:18])[CH2:13][CH2:14][C:15]([OH:17])=O)=[CH:7][CH:6]=1.[NH2:19][C:20]1C(O)=C[O:22][CH:21]=1.O[Li].O.[Li+].[OH-].[C:31]([C:35]([OH:37])=[O:36])(F)(F)F>O>[NH2:2][N:3]=[CH:4][C:5]1[CH:6]=[CH:7][C:8]([NH:11][C:12](=[O:18])[CH2:13][CH2:14][C:15]([NH:19][C@H:20]([CH2:21][OH:22])[CH2:31][C:35]([OH:37])=[O:36])=[O:17])=[CH:9][CH:10]=1 | 1 |
C=1(C(=CC=CC1)S(=O)(=O)Cl)C.OC[C@H]1CN(CCO1)C(=O)OC(C)(C)C>>S(=O)(=O)(C1=CC=C(C)C=C1)OC[C@H]1CN(CCO1)C(=O)OC(C)(C)C | 5 |
CCN(C(C)C)C(C)C.Cl[C:11]1[N:16]=[C:15]([Cl:17])[N:14]=[CH:13][N:12]=1.[NH2:18][C:19]1[CH:20]=[CH:21][C:22]([S:25]([CH3:28])(=[O:27])=[O:26])=[N:23][CH:24]=1>C1COCC1.CC(O)C>[Cl:17][C:15]1[N:14]=[CH:13][N:12]=[C:11]([NH:18][C:19]2[CH:24]=[N:23][C:22]([S:25]([CH3:28])(=[O:27])=[O:26])=[CH:21][CH:20]=2)[N:16]=1 | 2 |
ClC=1N=C(C2=C(N1)C(CC2)C2=C(C=C(C=C2)F)F)Cl.CC1=NN(C=N1)C1=C(OCCCC(C)N)C=C(C=C1)[N+](=O)[O-]>CC#N.C(C)(C)N(C(C)C)CC>ClC=1N=C(C2=C(N1)C(CC2)C2=C(C=C(C=C2)F)F)NC(C)CCCOC2=C(C=CC(=C2)[N+](=O)[O-])N2N=C(N=C2)C | 3 |
C1(CC1)CN.COC(C1=CN=C(C=C1)OCC=1C(=NOC1CO)C1=CC=C(C=C1)F)=O>>C1(CC1)CNC(C1=CN=C(C=C1)OCC=1C(=NOC1CO)C1=CC=C(C=C1)F)=O | 5 |
C([O:3][C:4]([C:6]1([CH2:30][CH2:31][S:32]([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)(=[O:34])=[O:33])[CH2:10][CH:9]([S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[CH:8]([C:20]2[CH:25]=[CH:24][C:23]([C:26]([CH3:29])([CH3:28])[CH3:27])=[CH:22][CH:21]=2)[NH:7]1)=[O:5])C.[OH-].[Li+]>>[C:14]1([S:11]([CH:9]2[CH:8]([C:20]3[CH:25]=[CH:24][C:23]([C:26]([CH3:29])([CH3:27])[CH3:28])=[CH:22][CH:21]=3)[NH:7][C:6]([CH2:30][CH2:31][S:32]([C:35]3[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=3)(=[O:34])=[O:33])([C:4]([OH:5])=[O:3])[CH2:10]2)(=[O:12])=[O:13])[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
[OH:1][CH2:2][CH2:3][C:4]1[C:12]2[C:11]([NH:13][C@@H:14]3[CH2:19][CH2:18][CH2:17][N:16]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:15]3)=[N:10][CH:9]=[N:8][C:7]=2[NH:6][CH:5]=1.[CH3:27][S:28](Cl)(=[O:30])=[O:29].CCN(C(C)C)C(C)C.O.C(Cl)Cl>C(Cl)Cl>[CH3:27][S:28]([O:1][CH2:2][CH2:3][C:4]1[C:12]2[C:11]([NH:13][C@@H:14]3[CH2:19][CH2:18][CH2:17][N:16]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:15]3)=[N:10][CH:9]=[N:8][C:7]=2[NH:6][CH:5]=1)(=[O:30])=[O:29] | 2 |
COC(OC)=O.C1(=CC=CC=C1)S(=O)(=O)N1C=CC=2C1=NC=C(C2)SC>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>COC(=O)C1=CC=2C(=NC=C(C2)SC)N1S(=O)(=O)C1=CC=CC=C1 | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([C:12]2[O:13][C:14]3[CH:20]=[CH:19][C:18](Br)=[CH:17][C:15]=3[N:16]=2)[CH:7]=[CH:8][C:9]=1[O:10][CH3:11])([O-:3])=[O:2].[F:22][C:23]1[CH:28]=[CH:27][C:26](B(O)O)=[CH:25][CH:24]=1>>[N+:1]([C:4]1[CH:5]=[C:6]([C:12]2[O:13][C:14]3[CH:20]=[CH:19][C:18]([C:26]4[CH:27]=[CH:28][C:23]([F:22])=[CH:24][CH:25]=4)=[CH:17][C:15]=3[N:16]=2)[CH:7]=[CH:8][C:9]=1[O:10][CH3:11])([O-:3])=[O:2] | 1 |
C(C)(C)(C)OC(CN(C)CC1=CC=C(C(=O)OC)C=C1)=O>>C(C)(C)(C)OC(CN(C)CC1=CC=C(C(=O)O)C=C1)=O | 5 |
[I:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](Cl)=[O:7])=[CH:4][CH:3]=1.[NH2:11][C:12]([CH3:28])([CH2:15][N:16]1[CH:24]=[C:23]2[C:18]([C:19]([Cl:27])=[C:20]([Cl:26])[CH:21]=[C:22]2[Cl:25])=[N:17]1)[C:13]#[N:14]>C1COCC1>[C:13]([C:12]([NH:11][C:6](=[O:7])[C:5]1[CH:9]=[CH:10][C:2]([I:1])=[CH:3][CH:4]=1)([CH3:28])[CH2:15][N:16]1[CH:24]=[C:23]2[C:18]([C:19]([Cl:27])=[C:20]([Cl:26])[CH:21]=[C:22]2[Cl:25])=[N:17]1)#[N:14] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([C:13]([O:15][CH3:16])=[O:14])[C:5]2[C:6]([CH:11]=[O:12])=[N:7][NH:8][C:9]=2[CH:10]=1.C([O-])([O-])=O.[K+].[K+].I[CH:24]([CH3:26])[CH3:25]>CN(C=O)C.O>[Br:1][C:2]1[CH:3]=[C:4]([C:13]([O:15][CH3:16])=[O:14])[C:5]2[C:6]([CH:11]=[O:12])=[N:7][N:8]([CH:24]([CH3:26])[CH3:25])[C:9]=2[CH:10]=1 | 1 |
C1CNCCOC1.Cl.BrC1=CC(=C(C(=N1)C)NC(=O)C=1OC=CC1C)C>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].[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.C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>CC1=NC(=CC(=C1NC(=O)C=1OC=CC1C)C)N1CCOCCC1 | 3 |
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