smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]([CH3:7])([CH3:6])[C:3](Br)=[O:4].[CH2:8]([OH:15])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.N1C=CC=CC=1.O>C1COCC1>[Br:1][C:2]([CH3:7])([CH3:6])[C:3]([O:15][CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)=[O:4] | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([NH2:11])(=[O:10])=[O:9].C1(=O)O[CH2:15][CH2:14][O:13]1.N1C=CN=C1.C(=O)=O>C(OCC)C>[OH:13][CH2:14][CH2:15][O:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([NH2:11])(=[O:9])=[O:10] | 1 |
C(CCC)C1=CC=C(C=O)C=C1.Cl.COC(=O)C=1SC(=CC1)CCCN>>COC(=O)C=1SC(=CC1)CCCNCC1=CC=C(C=C1)CCCC | 5 |
[F:1][C:2]1[CH:3]=[C:4]([C:8](=O)[CH2:9][C:10]2[CH:15]=[CH:14][N:13]=[CH:12][CH:11]=2)[CH:5]=[CH:6][CH:7]=1.[NH2:17][O:18][CH3:19]>N1C=CC=CC=1>[CH3:19][O:18][N:17]=[C:8]([C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=1)[CH2:9][C:10]1[CH:15]=[CH:14][N:13]=[CH:12][CH:11]=1 | 1 |
C(=O)(O)C=1C=CC2=C(N(C(=N2)C)CC2=C(C=C(C=C2)Cl)Cl)C1>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.N>C(N)(=O)C=1C=CC2=C(N(C(=N2)C)CC2=C(C=C(C=C2)Cl)Cl)C1 | 3 |
[CH2:1]([O:3][C:4](=[O:26])[C:5]([Cl:25])([Cl:24])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][S:16][C:17]1[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=1)[CH3:2].[OH:27]O>C(O)(=O)C>[CH2:1]([O:3][C:4](=[O:26])[C:5]([Cl:25])([Cl:24])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][S:16]([C:17]1[CH:18]=[CH:19][C:20]([Cl:23])=[CH:21][CH:22]=1)=[O:27])[CH3:2] | 1 |
Br[C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([N:9]2[C:13]([CH2:14][CH3:15])=[C:12]([CH2:16][C:17]3[C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[CH:20]=[CH:19][C:18]=3[O:27][CH2:28][CH3:29])[C:11]([CH2:30][CH3:31])=[N:10]2)=[C:4]([CH3:32])[CH:3]=1.C([Li])CCC.CN(C)[CH:40]=[O:41]>C1COCC1>[CH2:28]([O:27][C:18]1[CH:19]=[CH:20][C:21]2[C:26](=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:17]=1[CH2:16][C:12]1[C:11]([CH2:30][CH3:31])=[N:10][N:9]([C:5]2[C:6]([CH3:8])=[CH:7][C:2]([CH:40]=[O:41])=[CH:3][C:4]=2[CH3:32])[C:13]=1[CH2:14][CH3:15])[CH3:29] | 1 |
C(C)(=O)C1=C(C(=CC=C1[N+](=O)[O-])Cl)S(=O)(=O)N>S(O)(O)(=O)=O.CO[H].Cl[Si](C)(C)C>ClC1=CC=C(C(=C1S(=O)(=O)N)O)[N+](=O)[O-] | 3 |
ClS(=O)(=O)C1=CC=C(C(=O)O)C=C1.C(C1=CC=CC=C1)NC1=NC=CC=C1C(F)(F)F>C1(=CC=NC=C1)N(C)C.c1ccncc1>C(C1=CC=CC=C1)N(S(=O)(=O)C1=CC=C(C(=O)O)C=C1)C1=NC=CC=C1C(F)(F)F | 3 |
COC(C(COC1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C)=O>O.C1CCCO1.O[Li].O>BrC1=CC=C(OCC(C(=O)O)NC(=O)OC(C)(C)C)C=C1 | 3 |
C(C)(C)(C)C=1C=C(C=C(C1)C)C>C(Cl)(Cl)(Cl)[H].BrBr.[Fe]>BrC1=C(C=C(C=C1C)C(C)(C)C)C | 3 |
SCC(=O)OC.BrC1=CC(=C(C=O)C=C1OC)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C(=CC2=C(SC(=C2)C(=O)OC)C1)OC | 3 |
[C:1]([C:5]1[N:10]=[C:9]([O:11][CH2:12][CH3:13])[C:8]([C:14]2[N:15]([C:33](Cl)=[O:34])[CH:16]([C:26]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=3)[CH:17]([C:19]3[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=3)[N:18]=2)=[CH:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:36][N:37]([CH3:44])[CH:38]1[CH2:43][CH2:42][NH:41][CH2:40][CH2:39]1>>[C:1]([C:5]1[N:10]=[C:9]([O:11][CH2:12][CH3:13])[C:8]([C:14]2[N:15]([C:33]([N:41]3[CH2:42][CH2:43][CH:38]([N:37]([CH3:44])[CH3:36])[CH2:39][CH2:40]3)=[O:34])[C@H:16]([C:26]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=3)[C@H:17]([C:19]3[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=3)[N:18]=2)=[CH:7][N:6]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
N1=C(C=CC2=CC=CC=C12)C(C)=O>>BrCC(=O)C1=NC2=CC=CC=C2C=C1 | 5 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[C:16]3[C:11](=[CH:12][C:13]([O:19][CH3:20])=[C:14]([O:17][CH3:18])[CH:15]=3)[CH:10]=[C:9]([C:21]([O:23][CH3:24])=[O:22])[C:8]=2[C:25]([O:27][CH3:28])=[O:26])=[CH:3][CH:2]=1.Cl[C:30]1[CH:39]=[CH:38][C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[N:31]=1.Br.C(O)(=[O:43])C>C1(C)C=CC=CC=1>[O:43]=[C:30]1[CH:39]=[CH:38][C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[N:31]1[C:2]1[CH:3]=[C:4]([C:7]2[C:16]3[C:11](=[CH:12][C:13]([O:19][CH3:20])=[C:14]([O:17][CH3:18])[CH:15]=3)[CH:10]=[C:9]([C:21]([O:23][CH3:24])=[O:22])[C:8]=2[C:25]([O:27][CH3:28])=[O:26])[CH:5]=[CH:6][N:1]=1 | 1 |
C([N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6](=[C:13](Cl)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:5]1=[O:21])(=O)C.[CH3:22][NH:23][C:24]1[CH:31]=[CH:30][C:27]([C:28]#[N:29])=[CH:26][CH:25]=1.[OH-].[Na+]>C1COCC1.CO>[C:28]([C:27]1[CH:30]=[CH:31][C:24]([N:23]([C:13](=[C:6]2[C:7]3[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=3)[NH:4][C:5]2=[O:21])[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH3:22])=[CH:25][CH:26]=1)#[N:29] | 1 |
FC(CS(=O)(=O)Cl)(F)F.CC=1C(=C(C2=CC=C(C=C2C1)OC)OC1=CC=C(N)C=C1)C1=CC=CC=C1>>FC(CS(=O)(=O)NC1=CC=C(C=C1)OC1=C(C(=CC2=CC(=CC=C12)OC)C)C1=CC=CC=C1)(F)F | 5 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[NH:29][C:18]3=[N:19][C:20]([C:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH:28]=4)=[CH:21][CH:22]=[C:17]3[N:16]=2)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCN(C(C)C)C(C)C.[CH2:39]([S:41](Cl)(=[O:43])=[O:42])[CH3:40].O>C1COCC1>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[NH:29][C:18]3=[N:19][C:20]([C:23]4[CH2:24][CH2:25][N:26]([S:41]([CH2:39][CH3:40])(=[O:43])=[O:42])[CH2:27][CH:28]=4)=[CH:21][CH:22]=[C:17]3[N:16]=2)=[CH:11][CH:10]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[CH3:1][N:2]1[CH:9]2[CH:5]([N:6]([C:10]3[CH:15]=[CH:14][C:13]([NH2:16])=[CH:12][CH:11]=3)[CH2:7][CH2:8]2)[CH2:4][CH2:3]1.[C:17]([N:24]1[CH:28]=[CH:27]N=[CH:25]1)(N1C=CN=C1)=[O:18].[Cl:29][C:30]1[CH:35]=[CH:34][C:33]([CH:36]2CCNC[CH2:37]2)=[CH:32][CH:31]=1>>[CH3:1][N:2]1[CH:9]2[CH:5]([N:6]([C:10]3[CH:15]=[CH:14][C:13]([NH:16][C:17]([N:24]4[CH2:25][CH2:37][CH:36]([C:33]5[CH:34]=[CH:35][C:30]([Cl:29])=[CH:31][CH:32]=5)[CH2:27][CH2:28]4)=[O:18])=[CH:12][CH:11]=3)[CH2:7][CH2:8]2)[CH2:4][CH2:3]1 | 1 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C@@H:10]([O:13]C(=O)C)[CH:11]=[O:12])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:24]([Mg]Cl)[CH:25]([CH3:27])[CH3:26]>C1COCC1.CCOCC.CO.[H][H]>[C:1]([O:5][C:6]([NH:8][C@H:9]([C@@H:10]([OH:13])[C@@H:11]([OH:12])[CH2:24][CH:25]([CH3:27])[CH3:26])[CH2:17][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[Cl:1][C:2]1[N:3]=[C:4]([NH:23][C:24]2[CH:32]=[C:31]3[C:27]([CH:28]=[N:29][NH:30]3)=[CH:26][CH:25]=2)[C:5]2[C:10]([CH:11]=[CH2:12])=[CH:9][N:8]([S:13]([C:16]3[CH:22]=[CH:21][C:19]([CH3:20])=[CH:18][CH:17]=3)(=[O:15])=[O:14])[C:6]=2[N:7]=1>C(OC(=O)C)C.[Pd]>[Cl:1][C:2]1[N:3]=[C:4]([NH:23][C:24]2[CH:32]=[C:31]3[C:27]([CH:28]=[N:29][NH:30]3)=[CH:26][CH:25]=2)[C:5]2[C:10]([CH2:11][CH3:12])=[CH:9][N:8]([S:13]([C:16]3[CH:22]=[CH:21][C:19]([CH3:20])=[CH:18][CH:17]=3)(=[O:15])=[O:14])[C:6]=2[N:7]=1 | 1 |
ClC1=CC2=C(N(C(N2)C=2OC=CN2)CC2=CC=C(C#N)C=C2)C=C1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>N1N=NN=C1C1=CC=C(CN2C(NC3=C2C=CC(=C3)Cl)C=3OC=CN3)C=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2([C:20]([OH:22])=O)[CH2:19][CH2:18][CH2:17][CH2:16]2)=[CH:11][CH:10]=1)=[O:7].C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.[CH3:42][O:43][CH2:44][CH2:45][NH:46][CH3:47]>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2([C:20](=[O:22])[N:46]([CH2:45][CH2:44][O:43][CH3:42])[CH3:47])[CH2:16][CH2:17][CH2:18][CH2:19]2)=[CH:11][CH:10]=1)=[O:7] | 2 |
FC1=C(C=C(C(=O)OC)C=C1)C>BrN1C(CCC1=O)=O.C(C)(=O)OCC.CC(C)(C#N)/N=N/C(C)(C)C#N>BrCC=1C=C(C(=O)OC)C=CC1F | 3 |
C(N(CC)CC)C.[NH2:8][C@@H:9]1[CH2:13][CH2:12][N:11]([C:14]2[C:23]3[C:18](=[CH:19][C:20]([CH3:24])=[CH:21][CH:22]=3)[N:17]=[C:16]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[OH:31])[N:15]=2)[CH2:10]1.Cl[C:33]([O:35][CH2:36][CH3:37])=[O:34]>C1COCC1>[OH:31][C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=1[C:16]1[N:15]=[C:14]([N:11]2[CH2:12][CH2:13][C@@H:9]([NH:8][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:10]2)[C:23]2[C:18](=[CH:19][C:20]([CH3:24])=[CH:21][CH:22]=2)[N:17]=1 | 1 |
N1C=C(C2=CC=CC=C12)CCC(=O)O>>N1C=C(C2=CC=CC=C12)CCC(=O)OC | 5 |
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[S:11](Cl)(=[O:13])=[O:12].[NH:15]1[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1>C(OCC)(=O)C>[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[S:11]([N:15]1[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1)(=[O:13])=[O:12] | 1 |
C(=O)C1=C(N(C=2CN(CCC21)C(=O)OCC2=CC=CC=C2)C)C(=O)OCC>O1CCOCC1.NN>CN1C2=C(C3=C1C(NN=C3)=O)CCN(C2)C(=O)OCC2=CC=CC=C2 | 3 |
[CH2:1]([O:3][C:4]([C:6]1[CH:23]=[CH:22][CH:21]=[CH:20][C:7]=1[NH:8][C:9](=[O:19])[C:10]1[CH:15]=[CH:14][C:13]([N+:16]([O-:18])=[O:17])=[CH:12][CH:11]=1)=[O:5])[CH3:2].[H-].[Na+].IC.[CH2:28](OCC)C>CN(C)C=O.C(OCC)(=O)C>[CH2:1]([O:3][C:4]([C:6]1[CH:23]=[CH:22][CH:21]=[CH:20][C:7]=1[N:8]([CH3:28])[C:9](=[O:19])[C:10]1[CH:15]=[CH:14][C:13]([N+:16]([O-:18])=[O:17])=[CH:12][CH:11]=1)=[O:5])[CH3:2] | 1 |
[Li]CCCC.[CH3:6][O:7][CH2:8][O:9][C:10]1[C:11]([C:16]#[N:17])=[N:12][CH:13]=[CH:14][CH:15]=1.CN([CH:21]=[O:22])C.[Cl-].[NH4+]>C1COCC1>[CH:21]([C:15]1[CH:14]=[CH:13][N:12]=[C:11]([C:16]#[N:17])[C:10]=1[O:9][CH2:8][O:7][CH3:6])=[O:22] | 2 |
[Br:1][C:2]1[C:3]([N:20]2[CH2:25][CH2:24][CH:23]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]3[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]3)[CH2:22][CH2:21]2)=[N:4][CH:5]=[C:6]([S:8]([NH:11][CH:12]([CH2:16][CH2:17][S:18][CH3:19])[C:13]([OH:15])=[O:14])(=[O:10])=[O:9])[CH:7]=1.CCN(C(C)C)C(C)C.[Br:46][C:47]1[CH:48]=[C:49]([S:53](Cl)(=[O:55])=[O:54])[S:50][C:51]=1[Cl:52]>C(Cl)Cl>[Br:1][C:2]1[C:3]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH:31]3[CH2:36][CH2:35][N:34]([S:53]([C:49]4[S:50][C:51]([Cl:52])=[C:47]([Br:46])[CH:48]=4)(=[O:55])=[O:54])[CH2:33][CH2:32]3)[CH2:24][CH2:25]2)=[N:4][CH:5]=[C:6]([S:8]([NH:11][CH:12]([CH2:16][CH2:17][S:18][CH3:19])[C:13]([OH:15])=[O:14])(=[O:9])=[O:10])[CH:7]=1 | 2 |
[Br:1]Br.C([O:7][C:8](=[O:29])[CH2:9][N:10]1[C:15](=[O:16])[CH2:14][CH:13]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([Cl:23])[CH:18]=2)[C:12]([C:24]([O:26][CH3:27])=[O:25])=[C:11]1[CH3:28])(C)(C)C>ClCCl>[Br:1][CH2:28][C:11]1[N:10]([CH2:9][C:8]([OH:7])=[O:29])[C:15](=[O:16])[CH2:14][CH:13]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([Cl:23])[CH:18]=2)[C:12]=1[C:24]([O:26][CH3:27])=[O:25] | 2 |
CB1OB(OB(O1)C)C.ClC1=NC=C(C=2N=C(N=CC21)SC)C2=CNC1=CC(=CC=C21)C#N>>CC1=NC=C(C=2N=C(N=CC21)SC)C2=CNC1=CC(=CC=C21)C#N | 5 |
ClC1=C(C(=CC=C1)Cl)/C=C/C1=CC2=C(C=C1)C1(CCN(CC1)CCC(=O)OC(C)(C)C)CO2>Cl.O1CCOCC1>Cl.ClC1=C(C(=CC=C1)Cl)/C=C/C1=CC2=C(C=C1)C1(CCN(CC1)CCC(=O)O)CO2 | 3 |
C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[O:11]=[C:12]1[N:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[C@H:15]([C:24]([O:26][CH3:27])=[O:25])[CH2:14][CH2:13]1.CI.[CH3:30]C(O)=O>C1COCC1>[CH3:30][C@H:13]1[C:12](=[O:11])[N:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[C@H:15]([C:24]([O:26][CH3:27])=[O:25])[CH2:14]1 | 1 |
C(C)N(S(=O)(=O)C=1N=C(N(C1)C)C)[C@@H]1CC[C@H](CC1)C(C(F)(F)F)(C(F)(F)F)O[Si](CC)(CC)CC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)N(S(=O)(=O)C=1N=C(N(C1)C)C)[C@@H]1CC[C@H](CC1)C(C(F)(F)F)(C(F)(F)F)O | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O[CH2:21][CH2:22][CH2:23][C:24]1[CH:29]=[CH:28][N:27]=[CH:26][C:25]=1[C:30]1[NH:31][C:32](=[O:48])[C:33]([C:42]2[S:43][CH:44]=[C:45]([CH3:47])[N:46]=2)=[CH:34][C:35]=1[C:36]1[CH:41]=[CH:40][N:39]=[CH:38][CH:37]=1.N(C(OCC)=O)=NC(OCC)=O.O>C1COCC1>[CH3:47][C:45]1[N:46]=[C:42]([C:33]2[C:32](=[O:48])[N:31]3[CH2:21][CH2:22][CH2:23][C:24]4[CH:29]=[CH:28][N:27]=[CH:26][C:25]=4[C:30]3=[C:35]([C:36]3[CH:41]=[CH:40][N:39]=[CH:38][CH:37]=3)[CH:34]=2)[S:43][CH:44]=1 | 2 |
NC1=C(C(=O)OC)C=CC=N1>O.c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=O)OC)C=CC=N1 | 3 |
O[CH2:2][CH2:3][O:4][C:5]1[CH:6]=[CH:7][C:8]([C:21]2[NH:30][C:29](=[O:31])[C:28]3[C:23](=[CH:24][C:25]([O:32][CH3:33])=[CH:26][CH:27]=3)[N:22]=2)=[N:9][C:10]=1[C:11]1[CH:16]=[CH:15][C:14]([S:17]([CH3:20])(=[O:19])=[O:18])=[CH:13][CH:12]=1.P(Br)(Br)[Br:35]>CN(C=O)C>[Br:35][CH2:2][CH2:3][O:4][C:5]1[CH:6]=[CH:7][C:8]([C:21]2[NH:30][C:29](=[O:31])[C:28]3[C:23](=[CH:24][C:25]([O:32][CH3:33])=[CH:26][CH:27]=3)[N:22]=2)=[N:9][C:10]=1[C:11]1[CH:16]=[CH:15][C:14]([S:17]([CH3:20])(=[O:19])=[O:18])=[CH:13][CH:12]=1 | 2 |
[F:1][C:2]([F:24])([F:23])[C:3]1[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:16]=[CH:15][C:4]=1[CH2:5][N:6]1[CH2:12][CH2:11][CH2:10][CH:9]([CH2:13][OH:14])[CH2:8][CH2:7]1.C(N(CC)CC)C.O>CS(C)=O>[F:24][C:2]([F:1])([F:23])[C:3]1[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:16]=[CH:15][C:4]=1[CH2:5][N:6]1[CH2:12][CH2:11][CH2:10][CH:9]([CH:13]=[O:14])[CH2:8][CH2:7]1 | 1 |
CC1=C(NC2=CC=CC=C12)C(=O)O>>CON(C(=O)C=1NC2=CC=CC=C2C1C)C | 5 |
C(C)(C)(C)OC(=O)NC=1SC=C(C1C(=O)O)C(C)C>CCN(CC)CC.CC(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C)(C)C=1C(=C(SC1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.FC=1C=C(C=CC1OC(F)(F)F)[C@H](N)C1=NC=CC=C1F>>C(C)(C)(C)OC(N[C@H](C1=NC=CC=C1F)C1=CC(=C(C=C1)OC(F)(F)F)F)=O | 5 |
ClC1=C2C(N(C(=NC2=CC=C1)[C@H](C)NC(OC(C)(C)C)=O)CCC1OC1)=O>C(C)(C)N.Cl(=O)(=O)(=O)[O-].[Li+]>ClC1=C2C(N(C(=NC2=CC=C1)[C@H](C)NC(OC(C)(C)C)=O)CCC(CNC(C)C)O)=O | 3 |
N1(CCOCC1)C=1N=C(NC(C1)=O)CC(=O)OCC>>C(C)OC(CC=1NC(C(=C(N1)N1CCOCC1)Cl)=O)=O | 5 |
C1(CCCC1)SC=1C=C(C=CC1)C(C)=O>C(Cl)(Cl)(Cl)[H].BrBr>BrCC(=O)C1=CC(=CC=C1)SC1CCCC1 | 3 |
[CH3:1][C:2](C)([O-])C.[K+].C([Si](C1C=CC=CC=1)(C1C=CC=CC=1)[O:12][C:13]1[CH:22]=[CH:21][C:20]2[NH:19][C:18](=[O:23])[C:17]3=[C:24]([CH3:33])[N:25]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][O:28]4)[N:26]=[C:16]3[C:15]=2[CH:14]=1)(C)(C)C.BrCC.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[CH2:1]([O:12][C:13]1[CH:22]=[CH:21][C:20]2[NH:19][C:18](=[O:23])[C:17]3=[C:24]([CH3:33])[N:25]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][O:28]4)[N:26]=[C:16]3[C:15]=2[CH:14]=1)[CH3:2] | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]2[CH:12]=[N:13][CH:14]=[N:15][CH:16]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].F[C:18]1[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][CH:19]=1>>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([N:10]([C:18]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][CH:19]=2)[C:11]2[CH:16]=[N:15][CH:14]=[N:13][CH:12]=2)=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
C(C)C(CC)(C1=CC(=C(C=C1)C#CC1(CCCCC1)O)C)C1=CC(=C(C=C1)O)C>>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C1(CCCCC1)O)C)C1=CC(=C(C=C1)O)C | 5 |
BrC/C=C/C(=O)Cl.NC1=CC=C(CN(C(OC(C)(C)C)=O)[C@@H]2C[C@@H](CCC2)NC2=NC=C(C(=N2)C2=CNC3=CC=CC=C23)Cl)C=C1>>ClC=1C(=NC(=NC1)N[C@H]1C[C@H](CCC1)N(C(OC(C)(C)C)=O)CC1=CC=C(C=C1)NC(\C=C\CN(C)C)=O)C1=CNC2=CC=CC=C12 | 5 |
C1(=CC=CC=C1)C=O.C(CCC)=O>O.CO[H].[OH-].[Na+]>C(/C1=CC=CC=C1)=C(\C=O)/CC | 3 |
[Br:1][C:2]1[C:12]([O:13][CH2:14][CH2:15][CH3:16])=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][C:3]=1[OH:17].I[CH2:19][CH3:20]>>[Br:1][C:2]1[C:12]([O:13][CH2:14][CH2:15][CH3:16])=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][C:3]=1[O:17][CH2:19][CH3:20] | 2 |
COC1=CC=C(N)C=C1>O.Cl.C([O-])([O-])=O.[Na+].[Na+].N(=O)[O-].[Na+].[N-]=[N+]=[N-].[Na+]>[N+](#N)N=[N-] | 3 |
[N+](=O)([O-])C1=CC=C2C=NNC2=C1>CC#N.C(C)(=O)O.F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F>FC1=NNC2=CC(=CC=C12)[N+](=O)[O-] | 3 |
[NH2:1][C:2]1[C:11]([OH:12])=[CH:10][CH:9]=[C:4]([C:5]([O:7]C)=[O:6])[C:3]=1[C:13]([O:15]C)=[O:14].[OH-].[Na+]>C(O)C.O>[NH2:1][C:2]1[C:11]([OH:12])=[CH:10][CH:9]=[C:4]([C:5]([OH:7])=[O:6])[C:3]=1[C:13]([OH:15])=[O:14] | 1 |
NC=1SC=CN1.C(C)N1N=C2C=C(C=C(C2=C1)OC1=CC=C(C=C1)S(=O)(=O)C)C(=O)O>>C(C)N1N=C2C=C(C=C(C2=C1)OC1=CC=C(C=C1)S(=O)(=O)C)C(=O)NC1=NC=NS1 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)C1=CC=CC=C1)N>C1CCCO1.CCN(CC)CC>C(C)(C)(C)OC(N[C@@H]1CN(C[C@H]1C1=CC=CC=C1)CC1=CC=CC=C1)=O | 3 |
ClC1=C(C(=O)O)C=C(C(=N1)Cl)Cl>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.N.CCCCCCC>ClC1=C(C(=O)N)C=C(C(=N1)Cl)Cl | 3 |
F[C:2]1[C:7]([CH:8]2[CH2:13][CH2:12][CH2:11][O:10][CH2:9]2)=[CH:6][CH:5]=[CH:4][N:3]=1.[N:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[NH:20][C:21]1[CH:26]=[CH:25][C:24]([OH:27])=[CH:23][CH:22]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN1C(=O)CCC1.O>[O:10]1[CH2:11][CH2:12][CH2:13][CH:8]([C:7]2[C:2]([O:27][C:24]3[CH:23]=[CH:22][C:21]([NH:20][C:15]4[CH:16]=[CH:17][CH:18]=[CH:19][N:14]=4)=[CH:26][CH:25]=3)=[N:3][CH:4]=[CH:5][CH:6]=2)[CH2:9]1 | 1 |
C1(CC1)S(=O)(=O)N.C(C)(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(C2CC(CN2C1=O)OC1=NC=CC2=CC=CC=C12)=O)C(=O)O>>C(C)(C)(C)OC(NC1CCCCCC=CC2CC2(NC(C2CC(CN2C1=O)OC1=NC=CC2=CC=CC=C12)=O)C(=O)NS(=O)(=O)C1CC1)=O | 3 |
ClC1=CC=C(C=C1)N=C=O.C(C)OC(=O)C1NCCSC1>CCN(CC)CC.CCCCCC.CCCC(C)C.CCC(C)CC>C(=O)(OCC)C1N(CCSC1)C(=O)NC1=CC=C(C=C1)Cl | 3 |
C(C)(C)(C)C1=NN(C=C1CCC(=O)OC)C1=NC=C(C=C1)Cl>C1CCCO1.CC(C)C[AlH]CC(C)C.CCCCCC>C(C)(C)(C)C1=NN(C=C1CCCO)C1=NC=C(C=C1)Cl | 3 |
Cl.C12CCCC(CC1)N2.FC1=C(C=C(C#N)C=C1)C(F)(F)F>CS(=O)C.C(C)(C)N(C(C)C)CC>C12CCCC(CC1)N2C2=C(C=C(C#N)C=C2)C(F)(F)F | 3 |
CS(=O)(=O)Cl.NC1=NC(=NS1)/C(/C(=O)O)=N/OC(C(=O)OC(C)(C)C)(C)C.Cl.N[C@H]1[C@@H]2N(C(=C(CS2)CCl)C(=O)OCC2=CC=C(C=C2)OC)C1=O>CCN(CC)CC.C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C>NC1=NC(=NS1)/C(/C(=O)N[C@H]1[C@@H]2N(C(=C(CS2)CCl)C(=O)OCC2=CC=C(C=C2)OC)C1=O)=N/OC(C)(C)C(=O)OC(C)(C)C | 3 |
C1(CC1)C=O.C(C)(=O)C=1C=C(C#N)C=CC1>CO[H].Cl.C(C)(=O)OCC.[OH-].[K+]>C1(CC1)C=CC(=O)C=1C=C(C#N)C=CC1 | 3 |
C(C)(C)(C)OC(N[C@H](CC)CNC1=NC(=NC=C1)C1=C(C=CC(=C1)Br)O)=O>>N[C@@H](CNC1=NC(=NC=C1)C1=C(C=CC(=C1)Br)O)CC | 5 |
COCCN.ClC1=CC=2C3=C(N(C2C=C1)C=C(C)C1=CC=NC=C1)CCN(C3)C>>COCCNC1=CC=2C3=C(N(C2C=C1)\C=C(/C)\C1=CC=NC=C1)CCN(C3)C | 5 |
C1(=CC=CC=C1)C=O.CN(C)C=1C=CC(=CC1)N=NC=2C=CC(=CC2)S(=O)(=O)O.N(N)C(=O)[C@@H](CN(C=O)O)CCCCC>CO[H].C(O)([O-])=O.[Na+].C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)NNC(=O)[C@@H](CN(C=O)O)CCCCC | 3 |
BrC1=CC(=C(C=C1)[N+](=O)[O-])SC1=C(C=CC=C1)Br>CO[H].[Zn].C(C)(=O)O>BrC1=CC(=C(N)C=C1)SC1=C(C=CC=C1)Br | 3 |
COC(=O)C=1C=C(C=C2C=CCOC12)I.C(#C)C1=C(C=CC=C1)C>>COC(=O)C=1C=C(C=C2C=CCOC12)C#CC1=C(C=CC=C1)C | 5 |
S1C(=CC=C1)CN.N1C(=NC2=C1C=CC=C2)CN(CCC=2SC=C(N2)C(=O)O)C(=O)OC(C)(C)C>N(C)(C)C=O.CCN(CC)CC.Cl.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>N1C(=NC2=C1C=CC=C2)CN(C(OC(C)(C)C)=O)CCC=2SC=C(N2)C(NCC=2SC=CC2)=O | 3 |
BrC(C)O.C(C)(C)OC(=O)N1CCC[C@@H](C2=CC=3CCCC3C=C21)N(C=2N=NNN2)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F>>C(C)(C)OC(=O)N1CCC[C@@H](C2=CC=3CCCC3C=C21)N(C=2N=NN(N2)CCO)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F | 5 |
C1(=CC=CC=C1)C=1N=NC=C(C1C=1OC=C(N1)C(C)(C)O)C1=CC=CC=C1>>C1(=CC=CC=C1)C=1N=NC=C(C1C=1OC=C(N1)C=C)C1=CC=CC=C1 | 5 |
C(C1=CC=CC=C1)N=C=O.NC=1C=C2C=CNC(C2=CC1)=O>CN(C(C)=O)C>C(C1=CC=CC=C1)NC(=O)NC=1C=C2C=CNC(C2=CC1)=O | 3 |
BrC1=CC(=CC=C1)Br.BrC=1C=C(C=O)C=CC1>C1CCCO1.CCCCCC>BrC=1C=C(C=CC1)C(O)C1=CC(=CC=C1)Br | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[C:15](=[O:17])[N:14]([CH3:18])[C:13](=[O:19])[N:12](COC(=O)C(C)(C)C)[C:11]=2[N:10]=[C:9]1[N:28]1[CH2:33][CH2:32][N:31]([C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])[CH2:30][CH2:29]1.[H-].[Na+].Cl>CO.O1CCCC1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[C:15](=[O:17])[N:14]([CH3:18])[C:13](=[O:19])[NH:12][C:11]=2[N:10]=[C:9]1[N:28]1[CH2:29][CH2:30][N:31]([C:34]([O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[O:35])[CH2:32][CH2:33]1 | 1 |
Br[C:2]1[S:3][C:4]([S:11]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([OH:26])([CH3:25])[C:21]([F:24])([F:23])[F:22])=[CH:16][CH:15]=2)(=[O:13])=[O:12])=[C:5]([C:7]([F:10])([F:9])[F:8])[N:6]=1.[NH:27]1[CH2:31][CH2:30][CH2:29][CH2:28]1.CCOC(C)=O>C(Cl)Cl>[F:22][C:21]([F:24])([F:23])[C:20]([C:17]1[CH:18]=[CH:19][C:14]([S:11]([C:4]2[S:3][C:2]([N:27]3[CH2:31][CH2:30][CH2:29][CH2:28]3)=[N:6][C:5]=2[C:7]([F:10])([F:9])[F:8])(=[O:13])=[O:12])=[CH:15][CH:16]=1)([OH:26])[CH3:25] | 2 |
P(OCC)(OCC)(SCSC(C)(C)C)=O>O.CO[H].ClCCl.I(=O)(=O)(=O)[O-].[Na+]>P(OCC)(OCC)(SCS(=O)C(C)(C)C)=O | 3 |
ClCCC(=O)C1=CC=CC=C1.ICC(=C)C>>ClCCC(CC(=C)C)(O)C1=CC=CC=C1 | 5 |
Cl.[CH2:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5][CH2:4][N:3]1[NH2:12].Cl[C:14]([O:16][C:17]1[CH:22]=[CH:21][C:20]([Br:23])=[CH:19][CH:18]=1)=[O:15]>>[Br:23][C:20]1[CH:21]=[CH:22][C:17]([O:16][C:14](=[O:15])[NH:12][N:3]2[CH2:4][CH2:5][C:6]3[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=3)[CH2:2]2)=[CH:18][CH:19]=1 | 2 |
C(C)(C)(C)OC(N([C@@H]1CC2=CC=C(C=C2CC1)N(C)S(=O)(=O)C1=CC=C(C=C1)C(C)C)CC=C)=O>>C(C=C)N[C@@H]1CC=2C=CC(=CC2CC1)N(S(=O)(=O)C1=CC=C(C=C1)C(C)C)C | 5 |
[F:1][C:2]([F:13])([F:12])[C:3]1[S:4][CH:5]=[C:6]([C:8](=[O:11])[CH2:9]Br)[N:7]=1.[CH3:14][NH:15][CH:16]([CH3:30])[CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([O:28][CH3:29])=[O:27])=[CH:20][CH:19]=1>>[C:26]([CH2:25][O:24][C:21]1[CH:22]=[CH:23][C:18]([CH2:17][CH:16]([N:15]([CH3:14])[CH2:9][CH:8]([OH:11])[C:6]2[N:7]=[C:3]([C:2]([F:13])([F:12])[F:1])[S:4][CH:5]=2)[CH3:30])=[CH:19][CH:20]=1)([O:28][CH3:29])=[O:27] | 1 |
ClC=1C=C2C=CNC2=C(C1)C(=O)O.C(C)(C)(C)C1=CC=C(CNCCC2=CC=C(C=C2)F)C=C1>ClCCl.Cl.CN(CCCN=C=NCC)C>C(C)(C)(C)C1=CC=C(CN(C(=O)C=2C=C(C=C3C=CNC23)Cl)CCC2=CC=C(C=C2)F)C=C1 | 3 |
NC1=C(C=C(C=C1)O)F>[OH-].[Na+].ClC(=O)OCC>C(C)OC(NC1=C(C=C(C=C1)O)F)=O | 3 |
N(=[N+]=[N-])[C@@H]1[C@H](C([C@H](OC1OCC1=CC=CC=C1)CN=[N+]=[N-])(F)F)OCC1=CC=CC=C1>>C(C)(=O)OC1O[C@@H](C([C@@H]([C@H]1N=[N+]=[N-])OC(C)=O)(F)F)CN=[N+]=[N-] | 5 |
[F:1][C:2]([F:50])([F:49])[C:3]1[CH:4]=[C:5]([CH:46]=[CH:47][CH:48]=1)[CH2:6][N:7]1[C:15]2[C:10](=[N:11][C:12]([N:16](C(OC(C)(C)C)=O)[NH:17][C:18](OC(C)(C)C)=O)=[CH:13][CH:14]=2)[CH:9]=C1C(OCC1C=CC=C(C(F)(F)F)C=1)=O.[OH-].[Na+].[CH3:53]O.[C:55]([OH:58])(=[O:57])[CH3:56]>>[CH3:53][C:18]1[N:11]2[C:10]3[CH:9]=[C:56]([C:55]([OH:58])=[O:57])[N:7]([CH2:6][C:5]4[CH:46]=[CH:47][CH:48]=[C:3]([C:2]([F:50])([F:49])[F:1])[CH:4]=4)[C:15]=3[CH:14]=[CH:13][C:12]2=[N:16][N:17]=1 | 1 |
[CH3:1][C:2]1([CH3:15])[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:9]=2)[CH2:4][CH2:3]1.[C:16](Cl)(=[O:18])[CH3:17].[Cl-].[Al+3].[Cl-].[Cl-]>CCCCCC>[C:16]([C:6]1[CH:7]=[C:8]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:9]=[C:10]2[C:5]=1[CH2:4][CH2:3][C:2]2([CH3:15])[CH3:1])(=[O:18])[CH3:17] | 1 |
FC=1C(=C(C=NC1)CO)OC>C1CCCO1.C1CCC2=NCCCN2CC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>N(=[N+]=[N-])CC=1C=NC=C(C1OC)F | 3 |
BrC1=NC=CC=C1O.BrC(C(=O)OC)CCBr>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrCCC(C(=O)OC)OC=1C(=NC=CC1)Br | 3 |
[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][CH2:10][NH:9][CH2:8]2)[N:5]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([O:19][C:20]3[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=3[F:27])=[CH:15][CH:14]=2)[C:3]=1[C:28]([NH2:30])=[O:29].[N:31]#[C:32]Br.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][CH2:10][N:9]([C:32]#[N:31])[CH2:8]2)[N:5]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([O:19][C:20]3[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=3[F:27])=[CH:15][CH:14]=2)[C:3]=1[C:28]([NH2:30])=[O:29] | 2 |
COC[C@@H](OC=1C=C(OC=2N=CC(=NC2)C(=O)OC)C=C(C1)C=1NC(=CC1)C=1SC=CN1)C>>COC[C@@H](OC=1C=C(OC=2N=CC(=NC2)C(=O)O)C=C(C1)C=1NC(=CC1)C=1SC=CN1)C | 5 |
NC1=C(C=CC(=C1)C=1SC=CC1)NC(OC(C)(C)C)=O.C(C)OP(=O)(C)CCC(=O)C1=CC=C(C(=O)O)C=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)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>CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C=1SC=CC1)NC(=O)C1=CC=C(C=C1)C(CCP(OCC)(=O)C)=O | 3 |
FC=1C=C(N)C=CC1SC.C(C)(C)(C)OC(=O)N1CCC(CC1)CCCC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N1CCC(CC1)CCCC(NC1=CC(=C(C=C1)SC)F)=O | 3 |
BrC=1C=C(C#N)C=CC1F>>BrC=1C=C(C#N)C=CC1S | 5 |
[OH:1][CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].[H-].[Na+].[CH2:10](Br)[CH:11]=[CH2:12]>CN(C=O)C>[CH2:12]([O:1][CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4])[CH:11]=[CH2:10] | 1 |
ClC1=C2C=3CCCC(C3NC2=CC=C1Cl)=O.[Cl-].C(C)[NH+](CC)CC.C1=CC=CC=C1>ClCCl.[OH-].[Na+].[Cl-].[NH4+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>ClC1=C2C=3CCCC(C3N(C2=CC=C1Cl)S(=O)(=O)C1=CC=C(C)C=C1)=O | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.FC1=C(C=CC(=C1)F)Br>>C(C)(C)(C)OC(=O)N1CCC(CC1)(O)C1=C(C=C(C=C1)F)F | 5 |
[CH:1]1([CH:4]2[CH2:9][NH:8][C:7](=O)[CH2:6][S:5]2)[CH2:3][CH2:2]1.[H-].[H-].[H-].[H-].[Li+].[Al+3].[O-]S([O-])(=O)=O.[Na+].[Na+]>C1COCC1>[CH:1]1([CH:4]2[S:5][CH2:6][CH2:7][NH:8][CH2:9]2)[CH2:3][CH2:2]1 | 1 |
[C:1]1(=[N:11]O)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][CH2:2]1.[OH2:13]>>[NH:11]1[C:6](=[O:13])[CH2:7][CH2:8][CH2:9][C:10]2[CH:5]=[CH:4][CH:3]=[CH:2][C:1]1=2 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]([C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[OH:22])=O)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[NH3:23]>CO>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]([C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[OH:22])=[NH:23])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10] | 1 |
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