smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)OC(\C=C\CCC=C)=O>C(C)OCC.CC(C)C[AlH]CC(C)C.CCCCCC>C(\C=C\CCC=C)O | 3 |
CB1OB(OB(O1)C)C.NC1=NC=C(C=N1)C=1C(=CC=2C3=C(NC2C1)C(=CN=C3N[C@@H](C(F)(F)F)C3CC3)C(=O)N)Br>>NC1=NC=C(C=N1)C=1C(=CC=2C3=C(NC2C1)C(=CN=C3N[C@@H](C(F)(F)F)C3CC3)C(=O)N)C | 5 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:10](I)=[CH:9][N:8]([S:12]([C:15]3[CH:21]=[CH:20][C:18]([CH3:19])=[CH:17][CH:16]=3)(=[O:14])=[O:13])[C:5]2=[N:6][CH:7]=1.[F:22][C:23]1[CH:43]=[CH:42][C:41]([F:44])=[CH:40][C:24]=1[CH2:25][N:26]1[CH:30]=[C:29](B2OC(C)(C)C(C)(C)O2)[CH:28]=[N:27]1.C(=O)([O-])[O-].[Na+].[Na+]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1(C)C=CC=CC=1.C(O)C.O>[Br:1][C:2]1[CH:3]=[C:4]2[C:10]([C:29]3[CH:28]=[N:27][N:26]([CH2:25][C:24]4[CH:40]=[C:41]([F:44])[CH:42]=[CH:43][C:23]=4[F:22])[CH:30]=3)=[CH:9][N:8]([S:12]([C:15]3[CH:21]=[CH:20][C:18]([CH3:19])=[CH:17][CH:16]=3)(=[O:14])=[O:13])[C:5]2=[N:6][CH:7]=1 | 1 |
[C:1]1([C@@H:7]([OH:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[N+:29]([C:32]1[CH:40]=[CH:39][C:35]([C:36](O)=[O:37])=[CH:34][CH:33]=1)([O-:31])=[O:30].COCCOC(N=NC(OCCOC)=O)=O>ClCCl.O>[N+:29]([C:32]1[CH:33]=[CH:34][C:35]([C:36]([O:9][C@@H:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[CH3:8])=[O:37])=[CH:39][CH:40]=1)([O-:31])=[O:30].[C:1]1([C@@H:7]([OH:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CO.BrCC1CC1>N(C)(C)C=O.[H-].[Na+]>C1(CC1)COCC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C)OC(=O)N1CCN(CC1)C([C@H](CCC(=O)OC(C)(C)C)NC(=O)C1=NN(C(=C1)O[C@H](C)C(=O)OCC1=CC=CC=C1)C1=CC=CC=C1)=O>>C(C)OC(=O)N1CCN(CC1)C([C@H](CCC(=O)OC(C)(C)C)NC(=O)C1=NN(C(=C1)O[C@H](C)C(=O)O)C1=CC=CC=C1)=O | 5 |
ClC1=C(C(=O)O)C(=CC=C1)C.N1=CC(=CC=C1)S(=O)(=O)N1CCC(=CC1)C1=CC=C(C[C@H](N)C(=O)OC)C=C1>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C(=O)N[C@@H](CC2=CC=C(C=C2)C=2CCN(CC2)S(=O)(=O)C=2C=NC=CC2)C(=O)O)C(=CC=C1)C | 3 |
CC1=NC2=CC=C(C=C2C=C1)N>>C(C)NC=1C=C2C=CC(=NC2=CC1)C | 5 |
N(=[N+]=[N-])[C@H](C(=O)NC1=C(C(=CC=C1)F)CC[C@@H](CN(C(OC(C)(C)C)=O)C[C@H](C)O)NS(=O)(=O)C1=CC=C(C=C1)F)[C@H](C1CCOCC1)C1=CC=C(C=C1)Cl>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>N(=[N+]=[N-])[C@H](C(=O)NC1=C(CC[C@H]2CN(C[C@H](N2S(=O)(=O)C2=CC=C(C=C2)F)C)C(=O)OC(C)(C)C)C(=CC=C1)F)[C@H](C1CCOCC1)C1=CC=C(C=C1)Cl | 3 |
ClC1=C(C(=O)Cl)C=CC(=C1)Cl.COC(=O)C=1SC(=CC1NC(C)C)Br>>COC(=O)C=1SC(=CC1N(C(C)C)C(C1=C(C=C(C=C1)Cl)Cl)=O)Br | 5 |
C(C1=CC=CC=C1)N.BrC1=CC=C(N=N1)N(C(OC1=CC=C(C=C1)[N+](=O)[O-])=O)[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C>O.C1CCCO1>C(C)(C)(C)OC(N[C@@H]1CC[C@H](CC1)N(C=1N=NC(=CC1)Br)C(NCC1=CC=CC=C1)=O)=O | 3 |
FC(CN)(F)F.C12(CC(C1)C2)NC(=O)C=2C=C(C=CC2OC)C=2C=C1C(=NC2Cl)OC(=C1C(=O)NC)C1=CC=C(C=C1)F>CCC(C)(C)[O-].[Na+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=C(C=C2OC)Cl)OC)P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.[Pd+2]>C12(CC(C1)C2)NC(=O)C=2C=C(C=CC2OC)C=2C=C1C(=NC2NCC(F)(F)F)OC(=C1C(=O)NC)C1=CC=C(C=C1)F | 3 |
C(C)(C)(C)C1=C(C=C(C(=O)OC)C=C1)C(C)C>>C(C)(C)(C)C1=C(C=C(C=C1)CO)C(C)C | 5 |
BrC(C1=NN=C2N1C=C(N=C2)C2=CC=C(C=C2)C(C)OCC(F)(F)F)(F)F>CCO[H].C([O-])([O-])=O.[Na+].[Na+].F[B-](F)(F)F.[Ag+]>C(C)OC(C1=NN=C2N1C=C(N=C2)C2=CC=C(C=C2)C(C)OCC(F)(F)F)(F)F | 3 |
C(CCC)C=1N=C(SC1CC(=O)O)C1=CC=C(C=C1)C(F)(F)F>C1CCCO1>C(CCC)C=1N=C(SC1CCO)C1=CC=C(C=C1)C(F)(F)F | 3 |
[O:1]1[CH:5]=[CH:4][CH:3]=[CH:2]1.C([Li])CCC.[C:11]([N:13]1[CH2:18][CH2:17][N:16]([C:19]2[N:28]=[C:27]([NH2:29])[C:26]3[C:21](=[CH:22][C:23]([O:32][CH3:33])=[C:24]([O:30][CH3:31])[CH:25]=3)[N:20]=2)[CH2:15][CH2:14]1)#N.[O:34]1CCCC1>CCCCCC>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:11]([N:13]1[CH2:18][CH2:17][N:16]([C:19]2[N:28]=[C:27]([NH2:29])[C:26]3[C:21](=[CH:22][C:23]([O:32][CH3:33])=[C:24]([O:30][CH3:31])[CH:25]=3)[N:20]=2)[CH2:15][CH2:14]1)=[O:34] | 1 |
CS(=O)(=O)Cl.CC1=C(C=CC=2NC3=CC=CC=C3C12)[N+](=O)[O-]>N(C)(C)C=O.[H-].[Na+]>CC1=C(C=CC=2N(C3=CC=CC=C3C12)S(=O)(=O)C)[N+](=O)[O-] | 3 |
FC(N1N=CC(=C1)S(=O)(=O)N1C=C(C(=C1C=1C(=NC=CC1)F)F)CN(C(OC(C)(C)C)=O)C)F>CCO[H].Cl>Cl.FC(N1N=CC(=C1)S(=O)(=O)N1C=C(C(=C1C=1C(=NC=CC1)F)F)CNC)F | 3 |
C1(=CC=CC=C1)CC#N.O1CCC(CC1)=O>C1CCCO1.C(CCC)[Li]>OC1(CCOCC1)C(C#N)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([C:8](Cl)=[O:9])=[CH:4][CH:3]=1.[NH2:11][C:12]1[CH:13]=[C:14]([NH:19][C:20]([C:22]2[CH:27]=[CH:26][N:25]=[C:24]([N:28]3[CH2:33][CH2:32][O:31][CH2:30][CH2:29]3)[CH:23]=2)=[O:21])[CH:15]=[CH:16][C:17]=1[CH3:18]>>[Cl:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([NH:11][C:12]2[CH:13]=[C:14]([NH:19][C:20]([C:22]3[CH:27]=[CH:26][N:25]=[C:24]([N:28]4[CH2:33][CH2:32][O:31][CH2:30][CH2:29]4)[CH:23]=3)=[O:21])[CH:15]=[CH:16][C:17]=2[CH3:18])=[O:9])=[CH:4][CH:3]=1 | 1 |
C1(CCCC1)COC1=NC=C(C=C1)CCC(=O)OCC>CC#N.BrBr.BrN1C(CCC1=O)=O>BrC=1C(=NC=C(C1)CCC(=O)OCC)OCC1CCCC1 | 3 |
N1(N=CN=C1)C[C@@H]1C[C@@H](CC1)NCC(=O)N1[C@@H](C[C@@H](C1)F)C#N>>C1(=CC=C(C=C1)S(=O)(=O)O)C.N1(N=CN=C1)C[C@@H]1C[C@@H](CC1)NCC(=O)N1[C@@H](C[C@@H](C1)F)C#N | 5 |
[CH2:1]([N:8]1[CH:17]=[C:16](Br)[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:9]1=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:20][O:21][C:22]1[CH:23]=[C:24](C2OC(C)(C)C(C)(C)O2)[CH:25]=[CH:26][C:27]=1[O:28][CH3:29].C([O-])([O-])=O.[Na+].[Na+]>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>[CH2:1]([N:8]1[CH:17]=[C:16]([C:25]2[CH:24]=[CH:23][C:22]([O:21][CH3:20])=[C:27]([O:28][CH3:29])[CH:26]=2)[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:9]1=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([Cl:9])=[CH:4][C:3]=1[OH:10].[H-].[Na+].[Cl:13][C:14]1[CH:19]=[CH:18][N:17]=[C:16](F)[CH:15]=1>C1COCC1>[Cl:13][C:14]1[CH:19]=[CH:18][N:17]=[C:16]([O:10][C:3]2[CH:4]=[C:5]([Cl:9])[C:6]([Cl:8])=[CH:7][C:2]=2[NH2:1])[CH:15]=1 | 1 |
[OH:1][CH2:2][C:3]1[N:4]=[C:5]([CH:8]([CH3:10])[CH3:9])[S:6][CH:7]=1.C(N(C(C)C)CC)(C)C.[CH3:20][S:21](Cl)(=[O:23])=[O:22]>ClCCl>[CH:8]([C:5]1[S:6][CH:7]=[C:3]([CH2:2][O:1][S:21]([CH3:20])(=[O:23])=[O:22])[N:4]=1)([CH3:10])[CH3:9] | 1 |
N1(CCNCC1)C(=O)OCC1=CC=CC=C1.OCC#CCOS(=O)(=O)C1=CC=C(C=C1)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>OCC#CCN1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
CC1=NN2C(=NC=CC2=C1)SC>N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>CC1=NN2C(=NC=CC2=C1C=O)SC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)C1=C(C=CC=2CC[C@@H](CC12)NC[C@H](O)C1=CC=C(C=C1)Cl)O>>ClC1=CC=C(C=C1)[C@H](CN(C(OC(C)(C)C)=O)[C@@H]1CC2=CC(=CC=C2CC1)O)O | 5 |
C1(=CC=C(C=C1)S(=O)(=O)C#N)C.ClC1=CC=C(C=C1)N1C(=NC(=C1)C(=O)OC(C)(C)C)C1=C(C=C(C=C1)Cl)Cl>>ClC1=CC=C(C=C1)N1C(=NC(=C1C#N)C(=O)OC(C)(C)C)C1=C(C=C(C=C1)Cl)Cl | 5 |
NC1C=CC(C([O:8][CH2:9]C)=O)=CC=1.[NH2:13][CH2:14][C:15]1[CH:25]=[CH:24][C:18]([C:19]([O:21]CC)=O)=[CH:17][CH:16]=1.FC(F)(F)C1C=[C:30]([NH:34]N)C=CC=1.[Cl:38][C:39]1[CH:40]=[C:41]([NH:45][NH2:46])[CH:42]=[CH:43][CH:44]=1.[NH2:47][C@@H:48]1[C:56]2[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=2)[CH2:50][C@@H:49]1[OH:57]>>[Cl:38][C:39]1[CH:40]=[C:41]([N:45]2[C:9](=[O:8])[NH:34][C:30]([NH:13][CH2:14][C:15]3[CH:16]=[CH:17][C:18]([C:19]([NH:47][C@@H:48]4[C:56]5[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=5)[CH2:50][C@@H:49]4[OH:57])=[O:21])=[CH:24][CH:25]=3)=[N:46]2)[CH:42]=[CH:43][CH:44]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=[CH:24][C:4]=1[CH2:5][N:6]([C:19]1[S:23][N:22]=[CH:21][N:20]=1)[S:7]([C:10]1[CH:15]=[C:14]([F:16])[C:13](F)=[CH:12][C:11]=1[F:18])(=[O:9])=[O:8].[C:30]1([C@H:36]2[CH2:40][CH2:39][CH2:38][C@@H:37]2[OH:41])[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.[H-].[Na+]>CS(C)=O>[CH3:1][O:2][C:3]1[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=[CH:24][C:4]=1[CH2:5][N:6]([C:19]1[S:23][N:22]=[CH:21][N:20]=1)[S:7]([C:10]1[CH:15]=[C:14]([F:16])[C:13]([O:41][C@H:37]2[CH2:38][CH2:39][CH2:40][C@@H:36]2[C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)=[CH:12][C:11]=1[F:18])(=[O:8])=[O:9] | 1 |
[CH3:1][C@@:2]12[C@H:12]3[C@@H:13]([OH:25])[CH2:14][C@:15]4([CH3:24])[C@@H:19]([C:20](CO)=[O:21])[CH2:18][CH2:17][C@H:16]4[C@@H:11]3[CH2:10][CH2:9][C:8]1=[CH:7][C:5](=[O:6])[CH2:4][CH2:3]2.CO.I([O-])(=O)(=O)=[O:29].[Na+]>C1COCC1.O>[OH:25][CH:13]1[CH:12]2[CH:11]([CH2:10][CH2:9][C:8]3[C:2]2([CH3:1])[CH2:3][CH2:4][C:5](=[O:6])[CH:7]=3)[CH:16]2[C:15]([CH3:24])([CH:19]([C:20]([OH:29])=[O:21])[CH2:18][CH2:17]2)[CH2:14]1 | 2 |
Cl[C:2]1N=[C:6]([C:8]([F:14])([F:13])[C:9]([F:12])([F:11])[F:10])[CH:5]=[CH:4][N:3]=1.[CH3:15][C:16]1[CH:17]=C([CH:20]=[C:21]([C:23]2[S:27][CH:26]=[N:25][CH:24]=2)[CH:22]=1)N.[CH3:28][C:29]1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=C[C:30]1=2.C([O-])([O-])=O.[Cs+].[Cs+]>O1CCOCC1.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:15][C:16]1[CH:17]=[C:2]([CH:20]=[C:21]([C:23]2[S:27][CH:26]=[N:25][CH:24]=2)[CH:22]=1)[NH:3][C:4]1[CH:30]=[CH:29][CH:28]=[C:6]([C:8]([F:14])([F:13])[C:9]([F:12])([F:11])[F:10])[CH:5]=1 | 1 |
[Cl:1][C:2]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[C:5]([NH2:6])=[C:4]([O:12][CH3:13])[CH:3]=1.[H-].[Na+].CI.[C:18]([O-])(O)=O.[Na+]>CN(C=O)C.[Cl-].[Na+].O>[Cl:1][C:2]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[C:5]([NH:6][CH3:18])=[C:4]([O:12][CH3:13])[CH:3]=1 | 1 |
ClC=1C=CC=2N(N1)C=CN2.CC1(OB(OC1(C)C)C=1C=C(O[C@H](CN2N=NN=C2)C)C=CC1)C>O.C1CCCO1.C(=O)([O-])[O-].[Cs+].[Cs+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>N=1C=CN2N=C(C=CC21)C=2C=C(O[C@H](CN1N=NN=C1)C)C=CC2 | 3 |
[S-]C#N.[K+].NC=1C=CC(=NC1)OC>BrBr.C(C)(=O)O>NC=1SC2=NC(=CC=C2N1)OC | 3 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S>C1CCCO1.C(C)(C)N(C(C)C)CC.BrCC(=O)OC>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)SCC(=O)OC | 3 |
[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([CH:10]=[O:11])=[CH:7][CH:8]=2)[CH:3]=[N:2]1.Br[CH2:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:16][C:15]=1[C:24]([F:27])([F:26])[F:25]>>[F:25][C:24]([F:26])([F:27])[C:15]1[CH:16]=[C:17]([C:20]([F:23])([F:21])[F:22])[CH:18]=[CH:19][C:14]=1[CH2:13][N:1]1[C:9]2[C:4](=[CH:5][C:6]([CH:10]=[O:11])=[CH:7][CH:8]=2)[CH:3]=[N:2]1 | 1 |
[CH3:1][O:2][C:3]([C:5]1[CH2:9][C@@H:8]([CH3:10])[CH2:7][C:6]=1[C:11]1[CH:16]=[C:15]([O:17][CH2:18][O:19][CH3:20])[CH:14]=[CH:13][C:12]=1[O:21][CH2:22][O:23][CH3:24])=[O:4]>[Pd].CO>[CH3:1][O:2][C:3]([CH:5]1[CH2:9][CH:8]([CH3:10])[CH2:7][CH:6]1[C:11]1[CH:16]=[C:15]([O:17][CH2:18][O:19][CH3:20])[CH:14]=[CH:13][C:12]=1[O:21][CH2:22][O:23][CH3:24])=[O:4] | 1 |
P(=O)(OCl)(Cl)Cl.C1(CC1)NC(CNC(=S)C=1C=NC=CC1)=O>>Cl.C1(CC1)NC1=CN=C(S1)C=1C=NC=CC1 | 5 |
[CH3:1][C:2]1[C:3]([CH:8]2[CH2:13][CH2:12][CH2:11][CH:10]([C:14]3[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=3)[NH:9]2)=[N:4][CH:5]=[CH:6][CH:7]=1.Br[CH2:22][C:23]1[C:24]([C:29]#[N:30])=[CH:25][CH:26]=[CH:27][CH:28]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:1][C:2]1[C:3]([CH:8]2[CH2:13][CH2:12][CH2:11][CH:10]([C:14]3[C:19]([CH3:20])=[CH:18][CH:17]=[CH:16][N:15]=3)[N:9]2[CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[C:29]#[N:30])=[N:4][CH:5]=[CH:6][CH:7]=1 | 1 |
N1C(CC2=CC=CC=C12)C(=O)O.ClC1=CC=C(C=C1)N=C=O>>ClC1=CC=C(C=C1)NC(=O)N1C(CC2=CC=CC=C12)C(=O)O | 5 |
CC1=C(C(=NC=C1)N1CCOCC1)C#N>CO[H].[HH]>CC1=C(C(=NC=C1)N1CCOCC1)CN | 3 |
N1(CCCC2=CC=CC=C12)C(=O)C=1C=C(C(=O)OC)C=C(C1)N1C(NC2=CC=CC=C2C1=O)=O>O.C1CCCO1.O[Li].O>N1(CCCC2=CC=CC=C12)C(=O)C=1C=C(C(=O)O)C=C(C1)N1C(NC2=CC=CC=C2C1=O)=O | 3 |
OC1=CC=C2C(=N1)N(C(=N2)C(=O)NC2(CCS(CC2)(=O)=O)C)C.CS(=O)(=O)OCC1=NC=C(C=C1OCC(F)F)Cl>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=C(C(=NC1)COC1=CC=C2C(=N1)N(C(=N2)C(=O)NC2(CCS(CC2)(=O)=O)C)C)OCC(F)F | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]([C:14]2[CH:19]=[CH:18][C:17]([NH:20][C:21]3[CH:26]=[C:25]([N:27]([CH3:51])[C:28]([N:30]([C:39]4[C:44]([Cl:45])=[C:43]([O:46][CH3:47])[CH:42]=[C:41]([O:48][CH3:49])[C:40]=4[Cl:50])[CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:38])([CH3:37])[CH3:36])=[O:29])[N:24]=[CH:23][N:22]=3)=[C:16]([N+:52]([O-])=O)[CH:15]=2)=[CH:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]>CO.ClC1C=CC=CC=1.O=[Pt]=O>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([C:14]2[CH:19]=[CH:18][C:17]([NH:20][C:21]3[CH:26]=[C:25]([N:27]([CH3:51])[C:28]([N:30]([C:39]4[C:40]([Cl:50])=[C:41]([O:48][CH3:49])[CH:42]=[C:43]([O:46][CH3:47])[C:44]=4[Cl:45])[CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:38])([CH3:37])[CH3:36])=[O:29])[N:24]=[CH:23][N:22]=3)=[C:16]([NH2:52])[CH:15]=2)[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
COC=1C(=NC(=NC1)C)C=1CCNCC1>CO[H].[HH].[Pd]>COC=1C(=NC(=NC1)C)C1CCNCC1 | 3 |
N1N=CC=C1.C(C)(=O)O[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCOS(=O)(=O)C)C)C)=C>>C(C)(=O)O[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCN1N=CC=C1)C)C)=C | 5 |
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[C:17]4[S:21][C:20](SCCC)=[N:19][C:18]4=[O:26])=[CH:13][CH:14]=3)[CH:9]=[N:8]2)=[C:4]([C:29]([F:32])([F:31])[F:30])[CH:3]=1.[NH:33]1[CH2:39][CH:38]([OH:40])[CH2:37][NH:36][CH2:35][CH2:34]1>>[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[C:17]4[S:21][C:20]([N:33]5[CH2:39][CH:38]([OH:40])[CH2:37][NH:36][CH2:35][CH2:34]5)=[N:19][C:18]4=[O:26])=[CH:13][CH:14]=3)[CH:9]=[N:8]2)=[C:4]([C:29]([F:32])([F:31])[F:30])[CH:3]=1 | 1 |
[H-].[Na+].[CH3:3][O:4][C:5]1[CH:10]=[C:9]([O:11][CH3:12])[N:8]=[C:7](S(C)(=O)=O)[N:6]=1.[Cl:17][C:18]1[CH:19]=[C:20]([CH2:24][C:25]#[N:26])[CH:21]=[CH:22][CH:23]=1.O>CN(C)C=O>[Cl:17][C:18]1[CH:19]=[C:20]([CH:24]([C:7]2[N:6]=[C:5]([O:4][CH3:3])[CH:10]=[C:9]([O:11][CH3:12])[N:8]=2)[C:25]#[N:26])[CH:21]=[CH:22][CH:23]=1 | 1 |
IC1=CN(C=2N=CN=C(C21)NCC2=CC=C(C=C2)OC)S(=O)(=O)C2=CC=CC=C2>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>IC1=CN(C=2N=CN=C(C21)N)S(=O)(=O)C2=CC=CC=C2 | 3 |
C(C1=CC=CC=C1)Cl.C1(=CC=CC=C1)C(N1C(C(C2=CC=CC=C12)(C1=CC2=C(OCCO2)C=C1O)O)=O)C1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC=1C(=CC2=C(OCCO2)C1)C1(C(N(C2=CC=CC=C12)C(C1=CC=CC=C1)C1=CC=CC=C1)=O)O | 3 |
[NH2:1][C:2]1[CH:10]=[C:9]([Cl:11])[CH:8]=[CH:7][C:3]=1[C:4]([NH2:6])=O.[CH:12]1([C:18](Cl)=O)[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1.[NH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1>>[Cl:11][C:9]1[CH:10]=[C:2]2[C:3]([C:4]([N:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)=[N:6][C:18]([CH:12]3[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]3)=[N:1]2)=[CH:7][CH:8]=1 | 2 |
[C:1]([O:5][C:6]([C:8]1([S:14]([N:17]2[CH2:22][CH2:21][C:20](=[O:23])[CH2:19][CH2:18]2)(=[O:16])=[O:15])[CH2:13][CH2:12][O:11][CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[BH4-].[Na+]>CO>[C:1]([O:5][C:6]([C:8]1([S:14]([N:17]2[CH2:22][CH2:21][CH:20]([OH:23])[CH2:19][CH2:18]2)(=[O:16])=[O:15])[CH2:13][CH2:12][O:11][CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[CH2:1]([O:3][C:4]([C:6]1[CH2:10][CH2:9][CH2:8][C:7]=1[NH:11][CH3:12])=[O:5])[CH3:2].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(O)(=O)C>[CH2:1]([O:3][C:4]([CH:6]1[CH2:10][CH2:9][CH2:8][CH:7]1[NH:11][CH3:12])=[O:5])[CH3:2] | 1 |
CC(C[C@H](CO)NC1CC2(CC2)C1)C.ClC1=NC(=NC(=C1)C1=C(C=CC=C1C)C)NS(=O)(=O)C1=CC=CC(=N1)C(=O)O>CC(C)(C)[O-].[K+].C1CCCO1.Cl.C(C)(=O)OCC>CC1=C(C(=CC=C1)C)C1=NC(=NC(=C1)OC[C@@H](CC(C)C)NC1CC2(CC2)C1)NS(=O)(=O)C1=CC=CC(=N1)C(=O)O | 3 |
FC=1C=C(C=CC1C(F)(F)F)CC(=O)NC1=C2CCNCC2=CC=C1OC.OC1(CCCCC1)C(=O)O>ClCCl.C(C)(C)N(C(C)C)CC>FC=1C=C(C=CC1C(F)(F)F)CC(=O)NC1=C2CCN(CC2=CC=C1OC)C(=O)C1(CCCCC1)O | 3 |
NC(=O)C=1C=C(C=C2C(=CNC12)C1CCN(CC1)C(=O)OC(C)(C)C)Br>CO[H].Cl.O1CCOCC1>Cl.BrC=1C=C2C(=CNC2=C(C1)C(=O)N)C1CCNCC1 | 3 |
C(C)(=O)OC(C)=O.ClC1=CC=C(C=C1)S(=O)(=O)CC1=C(C=CC(=C1)F)F.CN(C)CN(C)C>N(C)(C)C=O>ClC1=CC=C(C=C1)S(=O)(=O)C=CC1(CC=C(C=C1)F)F | 3 |
CC1(OB(OC1(C)C)C1=CC2=CC=CC=C2C=C1)C>>ClC=1C=C(C=CC1Cl)C=1N=C(SC1CC(C)C)NC1=C(C(=O)OC)C=C(C=N1)C1=CC2=CC=CC=C2C=C1 | 5 |
[C-]#N.[Zn+2].[C-]#N.C(C1=CC=CC=C1)OC1=NC=C(C=C1C1=NC(=CC2=C1N(C(=N2)N2[C@H]1[C@H](OCC2)CCC1)C[C@@H]1CC[C@H](CC1)C)Cl)Cl>CN(C(C)=O)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C1=CC=CC=C1)OC1=NC=C(C=C1C1=NC(=CC2=C1N(C(=N2)N2[C@H]1[C@H](OCC2)CCC1)C[C@@H]1CC[C@H](CC1)C)C#N)Cl | 3 |
FC1=CC=C(C=C1)B(O)O.BrC=1C(=C2C(=NC1C(F)(F)F)CCC2)N>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>FC1=CC=C(C=C1)C=1C(=C2C(=NC1C(F)(F)F)CCC2)N | 3 |
C(C)(C)(C)OC(=O)C1=C(N(C2=NC=CC=C21)C(C)C(C)OC)C>ClCCl.C(=O)(C(F)(F)F)O>COC(C(C)N1C(=C(C=2C1=NC=CC2)C(=O)O)C)C | 3 |
BrC=1C=C(C=C(C1)C)CO>O.CC(=O)C.[O-][Mn](=O)(=O)=O.[K+]>BrC=1C=C(C(=O)O)C=C(C1)C | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[N:13]3[N:14]=[C:15]([C:25]4[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=4)[C:16]([C:17]4[CH:22]=[CH:21][CH:20]=[C:19]([O:23][CH3:24])[CH:18]=4)=[C:12]3[N:11]=[CH:10][CH:9]=2)[CH:5]=[CH:4][N:3]=1.Cl.Cl.[NH2:33][C@H:34]1[CH:39]2[CH2:40][CH2:41][N:36]([CH2:37][CH2:38]2)[CH2:35]1.CCN(C(C)C)C(C)C>CS(C)=O>[CH3:24][O:23][C:19]1[CH:18]=[C:17]([C:16]2[C:15]([C:25]3[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=3)=[N:14][N:13]3[C:8]([C:6]4[CH:5]=[CH:4][N:3]=[C:2]([NH:33][C@@H:34]5[CH:39]6[CH2:40][CH2:41][N:36]([CH2:37][CH2:38]6)[CH2:35]5)[CH:7]=4)=[CH:9][CH:10]=[N:11][C:12]=23)[CH:22]=[CH:21][CH:20]=1 | 2 |
ClC(Cl)(Cl)[C:3]([C:5]1[N:14]2[C:8]([CH2:9][N:10]([C:19]([C:21]3[CH:26]=[CH:25][C:24]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=4[O:33][CH3:34])=[CH:23][CH:22]=3)=[O:20])[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13]2)=[CH:7][CH:6]=1)=[O:4].[CH2:37]([N:44]1[CH2:49][CH2:48][O:47][CH:46](NC)[CH2:45]1)[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1.CS(C)=O.[CH2:56]([N:58](CC)CC)C>C(#N)C>[CH2:37]([N:44]1[CH2:49][CH2:48][O:47][CH:46]([CH2:56][NH:58][C:3]([C:5]2[N:14]3[C:8]([CH2:9][N:10]([C:19]([C:21]4[CH:22]=[CH:23][C:24]([C:27]5[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=5[O:33][CH3:34])=[CH:25][CH:26]=4)=[O:20])[C:11]4[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=4[CH2:13]3)=[CH:7][CH:6]=2)=[O:4])[CH2:45]1)[C:38]1[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=1 | 1 |
C(C)(C)(C)C1=CC(=C(C(=N1)C)C(=O)NC1=CC(=NC=C1)C(=O)OC)OC1=C(C=C(C=C1)F)Cl>CO[H].N>C(C)(C)(C)C1=CC(=C(C(=N1)C)C(=O)NC1=CC(=NC=C1)C(N)=O)OC1=C(C=C(C=C1)F)Cl | 3 |
FC=1C=C(C#N)C=CC1C(F)(F)F.O=S1(N=C2N(CC1)C1CCC2(CC1)C1=CC=C(C=C1)O)=O>>O=S1(N=C2N(CC1)C1CCC2(CC1)C1=CC=C(OC=2C=C(C#N)C=CC2C(F)(F)F)C=C1)=O | 5 |
CC1CCCCN1C([O-])=O.C(OC([N:18]1[CH2:23][CH2:22][CH2:21][C@@H:20]([NH:24][C:25]2[N:30]=[CH:29][C:28]([Cl:31])=[CH:27][N:26]=2)[C@@H:19]1[CH3:32])=O)(C)(C)C>>[Cl:31][C:28]1[CH:27]=[N:26][C:25]([NH:24][C@@H:20]2[CH2:21][CH2:22][CH2:23][NH:18][C@H:19]2[CH3:32])=[N:30][CH:29]=1 | 2 |
N[C@@H](CC1=CC=CC=C1)C(=O)O.ClC1=C(C#N)C=CC(=C1)F>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=C(C=CC1C#N)N[C@@H](CC1=CC=CC=C1)C(=O)O | 3 |
C(OC)(OC)OC.O1CC(C1)C1CCNCC1.C(C)C1=NC2=C(N1C1=NC(=C3N=C(N(C3=N1)C)C=O)N1CCOCC1)C=CC=C2>>C(C)C1=NC2=C(N1C1=NC(=C3N=C(N(C3=N1)C)CN1CCC(CC1)C1COC1)N1CCOCC1)C=CC=C2 | 5 |
ClC1=C2C(=NC(=C1)C)NC=C2.COC=1C(=CC(=NC1)N)OCCCN1CCCC1>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>COC=1C(=CC(=NC1)NC=1C2=C(N=C(C1)C)NC=C2)OCCCN2CCCC2 | 3 |
C(CC)(=O)OC[C@]1(O[C@H](C[C@@H]1OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)N1C2=NC(=NC(=C2N=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)OC)F)C#C>ClCCl.C(=O)(C(F)(F)F)O>C(CC)(=O)OC[C@]1(O[C@H](C[C@@H]1O)N1C2=NC(=NC(=C2N=C1)N)F)C#C | 3 |
CN(C)CCNC.[CH2:8]([Li])[CH2:9][CH2:10]C.[F:13][C:14]([F:24])([F:23])[C:15]1[CH:22]=[CH:21][C:18]([CH:19]=[O:20])=[CH:17][CH:16]=1.C(C=C)=[O:26]>O1CCCC1.CCCCCC>[F:13][C:14]([F:23])([F:24])[C:15]1[CH:22]=[CH:21][C:18]2[CH:19]([OH:26])[O:20][CH:8]([CH:9]=[CH2:10])[C:17]=2[CH:16]=1 | 1 |
C1(C2OC(C(F)(F)F)=C(C(NC3C=CC(N4CCN(C(C5CCCC5C(O)=O)=O)CC4)=CC=3)=O)N=2)C=CC=CC=1.[C:41]1([C:47]2[O:48][C:49]([C:78]([F:81])([F:80])[F:79])=[C:50]([C:52]([NH:54][C:55]3[CH:60]=[CH:59][C:58]([N:61]4[CH2:66][CH2:65][N:64]([C:67]([CH:69]5[CH2:74][CH2:73][CH2:72][CH:71]([C:75]([OH:77])=[O:76])[CH2:70]5)=[O:68])[CH2:63][CH2:62]4)=[CH:57][CH:56]=3)=[O:53])[N:51]=2)[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1.COC(C1CCCC(C(N2CCN(C3C=CC(NC(C4N=C(C5C=CC=CC=5)OC=4C(F)(F)F)=O)=CC=3)CC2)=O)C1)=O.[OH-].[Li+]>>[C:41]1([C:47]2[O:48][C:49]([C:78]([F:79])([F:80])[F:81])=[C:50]([C:52]([NH:54][C:55]3[CH:60]=[CH:59][C:58]([N:61]4[CH2:66][CH2:65][N:64]([C:67]([C@H:69]5[CH2:74][CH2:73][CH2:72][C@@H:71]([C:75]([OH:77])=[O:76])[CH2:70]5)=[O:68])[CH2:63][CH2:62]4)=[CH:57][CH:56]=3)=[O:53])[N:51]=2)[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1 | 1 |
C(CCC)[Sn](C=CC)(CCCC)CCCC.BrC=1C(=NC(=NC1)C1=CC=CC=C1)NC1=NNC(=C1)C1CC1>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].O1CCOCC1.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>C1(CC1)C1=CC(=NN1)NC1=NC(=NC=C1\C=C\C)C1=CC=CC=C1 | 3 |
C(C)(C)(C)OC(=O)N1[C@H](CCC1)COC1=CC=C(C=C1)OCC1=CC=CC=C1>>C(C)(C)(C)OC(=O)N1[C@H](CCC1)COC1=CC=C(C=C1)O | 5 |
C12C(CC(C=C1)C2)C=O.FC(C(C(F)(F)F)O)(F)F>>C12C(CC(C=C1)C2)C(C(C(C(F)(F)F)(O)O)(F)F)O | 5 |
FC=1C=C(C=NC1OC)N.[Si](C)(C)(C(C)(C)C)OCC(C)C=1C=C(C(=NC1)F)C1=NC(=NC(=N1)C)N>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>[Si](C)(C)(C(C)(C)C)OCC(C)C=1C=C(C(=NC1)NC=1C=NC(=C(C1)F)OC)C1=NC(=NC(=N1)C)N | 3 |
BrC1=CC=C(C=C1)/C=C/CO>>BrC1=CC=C(C=C1)\C=C\CCl | 5 |
[N:1]([C@:4]12[CH2:39][CH2:38][C@@H:37]([C:40]([CH3:42])=[CH2:41])[C@@H:5]1[C@@H:6]1[C@@:19]([CH3:22])([CH2:20][CH2:21]2)[C@@:18]2([CH3:23])[C@@H:9]([C@:10]3([CH3:36])[C@@H:15]([CH2:16][CH2:17]2)[C:14]([CH3:25])([CH3:24])[C:13]([C:26]2[CH:35]=[CH:34][C:29]([C:30]([O:32][CH3:33])=[O:31])=[CH:28][CH:27]=2)=[CH:12][CH2:11]3)[CH2:8][CH2:7]1)=[C:2]=[O:3].C(N(CC)C(C)C)(C)C.[CH3:52][N:53]([CH3:57])[CH2:54][CH2:55][NH2:56].Cl>C1COCC1.CCOC(C)=O>[CH3:52][N:53]([CH3:57])[CH2:54][CH2:55][NH:56][C:2](=[O:3])[NH:1][C@:4]12[CH2:39][CH2:38][C@@H:37]([C:40]([CH3:42])=[CH2:41])[C@@H:5]1[C@@H:6]1[C@@:19]([CH3:22])([CH2:20][CH2:21]2)[C@@:18]2([CH3:23])[C@@H:9]([C@:10]3([CH3:36])[C@@H:15]([CH2:16][CH2:17]2)[C:14]([CH3:25])([CH3:24])[C:13]([C:26]2[CH:35]=[CH:34][C:29]([C:30]([O:32][CH3:33])=[O:31])=[CH:28][CH:27]=2)=[CH:12][CH2:11]3)[CH2:8][CH2:7]1 | 1 |
[C:1]1([CH2:7][C:8]([NH2:24])([C:10]2[CH:15]=[CH:14][C:13]([O:16]CC3C=CC=CC=3)=[CH:12][CH:11]=2)[CH3:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:25]>CO.O1CCCC1.[Pd]>[ClH:25].[C:1]1([CH2:7][C:8]([NH2:24])([C:10]2[CH:11]=[CH:12][C:13]([OH:16])=[CH:14][CH:15]=2)[CH3:9])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
OC1=C(C=CC=C1)S>>O1C2=C(SCC1)C=CC=C2 | 5 |
O1CCCC=C1.Cl.OC1CNC1.FC1=CC=C(C=C1)C(CCC)=O.OC1CN(C1)C1=CC=C(C=C1)C(CCC)=O>>O1C(CCCC1)OC1CN(C1)C1=CC=C(C=C1)C(CCC)=O | 5 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1.OC1=CC=C2C(=CC=NC2=C1)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC=1C=C2C(=NC=NC2=CC1OCCCN1CCOCC1)OC1=CC=C2C(=CC=NC2=C1)C | 3 |
Cl.[Br:2][C:3]1[CH:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:6]=[CH:5][C:4]=1[C:13]1[CH:22]=[CH:21][CH:20]=[C:19]2[C:14]=1[CH2:15][CH2:16][NH:17][CH2:18]2.C(N(CC)CC)C.[S:30](Cl)([Cl:33])(=[O:32])=[O:31]>C(Cl)Cl>[Br:2][C:3]1[CH:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:6]=[CH:5][C:4]=1[C:13]1[CH:22]=[CH:21][CH:20]=[C:19]2[C:14]=1[CH2:15][CH2:16][N:17]([S:30]([Cl:33])(=[O:32])=[O:31])[CH2:18]2 | 1 |
BrC=1C=C2C=NN(C2=CC1)CCCCl>>BrC=1C=C2C=NN(C2=CC1)CCCN1CCCC1 | 5 |
C(C)(C)(C)OC(=O)N([C@@H](CC(C)C)C(=O)O)C.O[C@@H](C(=O)OCC1=CC=CC=C1)CC1=NC=C(C=C1)C(F)(F)F>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1.n1nn(O)c2ccccc12>C(C)(C)(C)OC(=O)N([C@H](C(=O)O[C@@H](C(=O)OCC1=CC=CC=C1)CC1=NC=C(C=C1)C(F)(F)F)CC(C)C)C | 3 |
C(C)(C)(C)OC(=O)N1CC(CCC1)C1=CC(=CC(=C1)OC)OC>>COC=1C=C(C=C(C1)OC)C1CNCCC1 | 5 |
Cl.CNOC.BrC1=CC=C2C(C(=O)OC(N2)=O)=C1>O.CCN(CC)CC.CCO[H]>NC1=C(C(=O)N(C)OC)C=C(C=C1)Br | 3 |
CC(C(=O)O)(C)F.NC1=NC=CC(=C1)OC1=CC(=C(C=C1F)NC(=O)C1(CC1)C(=O)NC1=CC=C(C=C1)F)F>>FC1=C(C=C(C(=C1)OC1=CC(=NC=C1)NC(C(C)(C)F)=O)F)NC(=O)C1(CC1)C(=O)NC1=CC=C(C=C1)F | 5 |
C1(=CC=CC=C1)C#CC=1SC(=CN1)C(=O)O>C1CCCO1.C(=O)(C(F)(F)F)O.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(=CC=CC=C1)C#CC=1SC(=CN1)C(=O)N1CCCCC1 | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[C:13]([F:16])([F:15])[F:14])[C:7](O)=[O:8])([O-:3])=[O:2].C(Cl)(=O)C([Cl:20])=O>ClCCl.CN(C=O)C>[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[C:13]([F:16])([F:15])[F:14])[C:7]([Cl:20])=[O:8])([O-:3])=[O:2] | 2 |
NC1=CC=CC=C1.ClC1=NC(=NC(=N1)Cl)C1=CC=CC=C1>C(C)(=O)OCC.CC(=O)C.C(O)([O-])=O.[Na+]>ClC1=NC(=NC(=N1)C1=CC=CC=C1)NC1=CC=CC=C1 | 3 |
[CH3:1][O:2][C@@H:3]1[C@@H:31]([CH2:32][O:33][C:34](=[O:42])[CH2:35][O:36]C2CCCO2)[O:30][C@@H:6]([O:7][C:8]2[CH:13]=[C:12]([CH2:14][O:15]C3CCCO3)[CH:11]=[CH:10][C:9]=2[CH2:21][C:22]2[CH:27]=[CH:26][C:25]([CH2:28][CH3:29])=[CH:24][CH:23]=2)[C@H:5]([OH:43])[C@H:4]1[OH:44].Cl.C(=O)([O-])O.[Na+].C(Cl)Cl>CO>[CH3:1][O:2][C@@H:3]1[C@@H:31]([CH2:32][O:33][C:34](=[O:42])[CH2:35][OH:36])[O:30][C@@H:6]([O:7][C:8]2[CH:13]=[C:12]([CH2:14][OH:15])[CH:11]=[CH:10][C:9]=2[CH2:21][C:22]2[CH:23]=[CH:24][C:25]([CH2:28][CH3:29])=[CH:26][CH:27]=2)[C@H:5]([OH:43])[C@H:4]1[OH:44] | 2 |
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([OH:13])=[O:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.S(Cl)(Cl)=O.[CH3:18]O>>[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([O:13][CH3:18])=[O:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1 | 1 |
[N+](C1C=C(C=CC=1Cl)C(C1C=CC(Cl)=C([N+]([O-])=O)C=1)=O)([O-])=O.ClC1C=CC(C(C2C=CC(Cl)=CC=2)=O)=CC=1.[N+]([C:42]1[CH:43]=[CH:44][C:45]([Cl:60])=[C:46]([CH:59]=1)[C:47]([C:49]1[CH:54]=[CH:53][C:52]([Cl:55])=[C:51]([N+]([O-])=O)[CH:50]=1)=[O:48])([O-])=O>>[Cl:60][C:45]1[CH:44]=[CH:43][CH:42]=[CH:59][C:46]=1[C:47]([C:49]1[CH:54]=[CH:53][C:52]([Cl:55])=[CH:51][CH:50]=1)=[O:48] | 1 |
BrC1=CC=C(C=C1)C=1OC2=C(N1)C=CC=C2>O1CCOCC1.P(=O)(Cl)(Cl)Cl>BrC1=CC=C(C=C1)C1=NC2=C(N1C1=CC=CC=C1)C=CC=C2 | 3 |
N(N)C(=O)OC(C)(C)C.C(C)(=O)C1=CC=C(C(=O)OC)C=C1>C1CCCO1.Cl>COC(C1=CC=C(C=C1)C(C)NNC(=O)OC(C)(C)C)=O | 3 |
[CH3:1][CH:2]([C:4]1[N:9]=[C:8]([CH:10]([CH3:12])[CH3:11])[C:7](/[CH:13]=[CH:14]/[C@H:15]2[O:21][C:19](=[O:20])[CH2:18][C@H:17]([OH:22])[CH2:16]2)=[C:6]([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[C:5]=1[CH2:30][O:31][CH3:32])[CH3:3].[OH-:33].[Na+:34]>O>[CH3:1][CH:2]([C:4]1[C:5]([CH2:30][O:31][CH3:32])=[C:6]([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[C:7](/[CH:13]=[CH:14]/[C@@H:15]([OH:21])[CH2:16][C@@H:17]([OH:22])[CH2:18][C:19]([O-:33])=[O:20])=[C:8]([CH:10]([CH3:12])[CH3:11])[N:9]=1)[CH3:3].[Na+:34] | 2 |
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