smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(O[C:4]([CH:6]1[CH2:11][CH2:10][CH:9]([NH:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[F:19])[CH2:8][CH2:7]1)=[O:5])C.O[Li].O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[CH:45]1([N:50]2[CH2:55][CH2:54][NH:53][CH2:52][CH2:51]2)[CH2:49][CH2:48][CH2:47][CH2:46]1>C1COCC1.CO.O.CCN(CC)CC>[CH:45]1([N:50]2[CH2:51][CH2:52][N:53]([C:4]([CH:6]3[CH2:7][CH2:8][CH:9]([NH:12][C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=4[F:19])[CH2:10][CH2:11]3)=[O:5])[CH2:54][CH2:55]2)[CH2:46][CH2:47][CH2:48][CH2:49]1 | 2 |
ClC(=O)OCCCC.N1(CCCC1)C1=NC=CC=C1.C(C)C=1N(C=CN1)CC=1C=C(C=CC1)C1=C(SC(=C1)CC(C)C)S(=O)(=O)NC(C)(C)C>>C(CCC)OC(=O)NS(=O)(=O)C=1SC(=CC1C1=CC(=CC=C1)CN1C(=NC=C1)CC)CC(C)C | 5 |
C.C1C(Br)=C(Br)[NH:4]C=1C(O)=O.N([O-])=O.[Na+].[CH3:16][CH2:17][O:18][C:19]1[CH:20]=[CH:21][C:22]([NH2:25])=[CH:23][CH:24]=1.[N+:26]([O-:29])([OH:28])=[O:27]>C(O)(C)C.O>[N+:26]([O-:29])([O-:28])=[O:27].[CH2:17]([O:18][C:19]1[CH:24]=[CH:23][C:22]([N+:25]#[N:4])=[CH:21][CH:20]=1)[CH3:16] | 1 |
C1C(CCC2=CC=CC=C12)=O.C(C)(C)C1=CN=C(S1)NC([C@H](CCC)N)=O>>C(C)(C)C1=CN=C(S1)NC([C@H](CCC)NC1CC2=CC=CC=C2CC1)=O | 5 |
C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H](C1)COC)C(=O)O.C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC(=O)C=1C=CC2=C(COC=3C=C4C(=CC23)CCC(C4=O)Br)C1>ClCCl.CC(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC(=O)C=1C=CC2=C(COC=3C=C4C(=CC23)CCC(C4=O)OC(=O)[C@H]4N([C@H](CC4)C)C(=O)OC(C)(C)C)C1 | 3 |
C1(CC1)C(CC(=O)OC)C1=CC(=CC=C1)OCC1CCN(CC1)C1=C(C=CC(=C1)OC)C(N(CC(C)C)C)=O>>C1(CC1)C(CC(=O)O)C1=CC(=CC=C1)OCC1CCN(CC1)C1=C(C=CC(=C1)OC)C(N(CC(C)C)C)=O | 5 |
N1CCNCCC1.ClC1=NC2=CC=C(C=C2C=C1)OC>N(C)(C)C=O>N1C(CNCCC1)C1=NC2=CC=C(C=C2C=C1)OC | 3 |
S(=O)(=O)(OC)OC.OC1=C2CC=CCC2=CC=C1>CCO[H].C([O-])([O-])=O.[K+].[K+]>COC1=C2CC=CCC2=CC=C1 | 3 |
C(=O)(O)[O-].[Na+].[N:6]#[C:7]Br.[Si:9]([O:16][CH2:17][CH2:18][NH:19][C:20]1[CH:45]=[CH:44][C:23]([CH2:24][N:25]2[C:33](=[O:34])[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][C:31]=3[NH:35][C:36]([C:38]3[S:39][C:40]([Cl:43])=[CH:41][CH:42]=3)=[O:37])[CH2:26]2)=[CH:22][CH:21]=1)([C:12]([CH3:15])([CH3:14])[CH3:13])([CH3:11])[CH3:10].O.ClCCl>O1CCCC1>[Si:9]([O:16][CH2:17][CH2:18][N:19]([C:7]#[N:6])[C:20]1[CH:21]=[CH:22][C:23]([CH2:24][N:25]2[C:33](=[O:34])[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][C:31]=3[NH:35][C:36]([C:38]3[S:39][C:40]([Cl:43])=[CH:41][CH:42]=3)=[O:37])[CH2:26]2)=[CH:44][CH:45]=1)([C:12]([CH3:15])([CH3:13])[CH3:14])([CH3:11])[CH3:10] | 2 |
CS[C:3]1[S:4]/[C:5](=[CH:9]\[C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[N:16]=[CH:15][CH:14]=[CH:13]3)/[C:6](=[O:8])[N:7]=1.[N:20]1([CH:26]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH2:27][NH2:28])[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1.CCN(C(C)C)C(C)C>>[N:20]1([CH:26]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH2:27][NH:28][C:3]2[S:4]/[C:5](=[CH:9]\[C:10]3[CH:11]=[C:12]4[C:17](=[CH:18][CH:19]=3)[N:16]=[CH:15][CH:14]=[CH:13]4)/[C:6](=[O:8])[N:7]=2)[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1 | 1 |
[NH:1]1[C:5]2=[N+:6]([O-])[CH:7]=[CH:8][CH:9]=[C:4]2[CH:3]=[N:2]1.O=P(Cl)(Cl)[Cl:13]>C(#N)C>[Cl:13][C:9]1[CH:8]=[CH:7][N:6]=[C:5]2[NH:1][N:2]=[CH:3][C:4]=12 | 2 |
C(C)(C)(C)OC(=O)N1C(=CC=C1)B(O)O.BrC=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCN(CC3)C(=O)OC(C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].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]>C(C)(C)(C)OC(=O)N1C(=CC=C1)C=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCN(CC3)C(=O)OC(C)(C)C | 3 |
BrC1C=CC(C(N2CCN(C3C=CC(C)=CC=3C)CC2)=O)=CC=1.COC1C=CC(CN2CC(C)NC2=O)=CC=1.[CH3:40][C:41]1[CH:46]=[C:45]([CH3:47])[CH:44]=[CH:43][C:42]=1[N:48]1[CH2:53][CH2:52][N:51]([C:54]([C:56]2[CH:61]=[CH:60][C:59]([N:62]3[CH:66]([CH3:67])[CH2:65][N:64](CC4C=CC(OC)=CC=4)[C:63]3=[O:77])=[CH:58][CH:57]=2)=[O:55])[CH2:50][CH2:49]1>>[CH3:40][C:41]1[CH:46]=[C:45]([CH3:47])[CH:44]=[CH:43][C:42]=1[N:48]1[CH2:53][CH2:52][N:51]([C:54]([C:56]2[CH:61]=[CH:60][C:59]([N:62]3[CH:66]([CH3:67])[CH2:65][NH:64][C:63]3=[O:77])=[CH:58][CH:57]=2)=[O:55])[CH2:50][CH2:49]1 | 1 |
BrC=1C=CC(=C(C=O)C1)[N+](=O)[O-].C(C)OC(CC(=O)OCC)OCC>CCO[H].O.O.[Sn](Cl)Cl>BrC=1C=C2C=C(C=NC2=CC1)C(=O)OCC | 3 |
[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[C:7]([O:11][CH3:12])[CH:6]=[CH:5][C:4]=1[CH:13](O)[C:14]([CH3:19])([N+:16]([O-:18])=[O:17])[CH3:15].S(Cl)([Cl:23])=O>C1C=CC=CC=1>[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[C:7]([O:11][CH3:12])[CH:6]=[CH:5][C:4]=1[CH:13]([Cl:23])[C:14]([CH3:19])([N+:16]([O-:18])=[O:17])[CH3:15] | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([C:11]1[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=1)[N:6]=[CH:5]2.[CH:18]1([NH:21][C:22](=[O:39])[C:23]2[CH:28]=[CH:27][C:26]([CH3:29])=[C:25](B3OC(C)(C)C(C)(C)O3)[CH:24]=2)[CH2:20][CH2:19]1.C(=O)(O)[O-].[Na+]>CC(O)C.C(Cl)(Cl)Cl>[CH:18]1([NH:21][C:22](=[O:39])[C:23]2[CH:28]=[CH:27][C:26]([CH3:29])=[C:25]([C:2]3[CH:3]=[C:4]4[C:8](=[CH:9][CH:10]=3)[N:7]([C:11]3[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=3)[N:6]=[CH:5]4)[CH:24]=2)[CH2:19][CH2:20]1 | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH:12]2[CH:10]([O:11]2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([C:21]([N:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)=[O:22])=[CH:17][CH:16]=1>CC#N>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH:10]([OH:11])[CH:12]([N:26]2[CH2:25][CH2:24][N:23]([C:21](=[O:22])[C:18]3[CH:17]=[CH:16][C:15]([Cl:14])=[CH:20][CH:19]=3)[CH2:28][CH2:27]2)[CH2:13]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[C:1]([C:4]12[CH2:11][CH2:10][C:7]([NH:12][CH2:13][C:14]([N:16]3[CH2:20][C@@H:19]([F:21])[CH2:18][C@H:17]3[C:22]#[N:23])=[O:15])([CH2:8][CH2:9]1)[CH2:6][CH2:5]2)(O)=[O:2].[F:24][C:25]([F:37])([F:36])[S:26]([C:29]1[CH:35]=[CH:34][C:32]([NH2:33])=[CH:31][CH:30]=1)(=[O:28])=[O:27]>>[F:21][C@@H:19]1[CH2:20][N:16]([C:14](=[O:15])[CH2:13][NH:12][C:7]23[CH2:10][CH2:11][C:4]([C:1]([NH:33][C:32]4[CH:34]=[CH:35][C:29]([S:26]([C:25]([F:37])([F:24])[F:36])(=[O:28])=[O:27])=[CH:30][CH:31]=4)=[O:2])([CH2:5][CH2:6]2)[CH2:9][CH2:8]3)[C@H:17]([C:22]#[N:23])[CH2:18]1 | 1 |
C(C1=CN=CC=C1)(=O)NC1=CC(=C2CN(CC2=C1)C(=O)OC(C)(C)C)C1=CC=CC=C1>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C1(=CC=CC=C1)C=1C=C(C=C2CNCC12)NC(C1=CN=CC=C1)=O | 3 |
[CH2:1]([O:8][CH:9]1[CH2:14][CH:13]([O:15][Si:16]([C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:18])[CH3:17])[C:12](=CC=O)[CH:11]([O:26][Si:27]([C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:29])[CH3:28])[CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+].[CH3:36][CH2:37][OH:38]>>[CH2:1]([O:8][CH:9]1[CH2:14][CH:13]([O:15][Si:16]([C:19]([CH3:21])([CH3:22])[CH3:20])([CH3:18])[CH3:17])[C:12](=[C:37]([OH:38])[CH3:36])[CH:11]([O:26][Si:27]([C:30]([CH3:32])([CH3:31])[CH3:33])([CH3:28])[CH3:29])[CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
ClC1=C(C=O)C=C(C=C1)[N+](=O)[O-].CC(C)S>>C(C)(C)SC1=C(C=O)C=C(C=C1)[N+](=O)[O-] | 5 |
[Cl:1][S:2]([OH:5])(=O)=[O:3].[C:6]1([CH2:12][C:13]([OH:15])=[O:14])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>>[Cl:1][S:2]([C:9]1[CH:10]=[CH:11][C:6]([CH2:12][C:13]([OH:15])=[O:14])=[CH:7][CH:8]=1)(=[O:5])=[O:3] | 2 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][NH:6][C:7]1[CH2:12][CH2:11][CH2:10][C:9](=O)[CH:8]=1.S(OC)(OC)(=O)=O.S(OCC)(OCC)(=O)=O.[C:30]([CH2:32][C:33]([NH:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])=[O:34])#[N:31]>>[C:30](/[C:32](=[C:9]1/[CH:8]=[C:7]([NH:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1])[CH2:12][CH2:11][CH2:10]/1)/[C:33]([NH:35][CH2:36][CH2:37][CH2:38][O:39][CH3:40])=[O:34])#[N:31] | 2 |
[CH3:1][C:2]1[C:6]2[CH:7]=[C:8]([CH:11]=O)[CH:9]=[CH:10][C:5]=2[O:4][N:3]=1.[S:13]1[CH2:17][C:16](=[O:18])[NH:15][C:14]1=[O:19]>>[CH3:1][C:2]1[C:6]2[CH:7]=[C:8]([CH:11]=[C:17]3[S:13][C:14](=[O:19])[NH:15][C:16]3=[O:18])[CH:9]=[CH:10][C:5]=2[O:4][N:3]=1 | 1 |
C(C1C=CC(N2CC[C@H](N[C@@H](C3C4C(=CC=CC=4)C=CC=3)C)C2)=CC=1)(=O)C.[OH:28][CH2:29][CH2:30][NH:31][C:32](=[O:57])[C:33]1[CH:38]=[CH:37][C:36]([N:39]2[CH2:43][CH2:42][C@H:41]([NH:44][C@@H:45]([C:47]3[C:56]4[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=4)[CH:50]=[CH:49][CH:48]=3)[CH3:46])[CH2:40]2)=[CH:35][CH:34]=1.[ClH:58]>C(Cl)Cl.O1CCOCC1>[ClH:58].[OH:28][CH2:29][CH2:30][NH:31][C:32](=[O:57])[C:33]1[CH:38]=[CH:37][C:36]([N:39]2[CH2:43][CH2:42][C@H:41]([NH:44][C@@H:45]([C:47]3[C:56]4[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=4)[CH:50]=[CH:49][CH:48]=3)[CH3:46])[CH2:40]2)=[CH:35][CH:34]=1 | 1 |
FC(F)(F)C(O)=O.[CH3:8][S:9]([C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)=[CH:20][CH:19]=2)=[CH:14][CH:13]=1)(=[O:11])=[O:10].[F:32][C:33]([F:42])([F:41])[C:34]1([C:38](O)=[O:39])[CH2:37][CH2:36][CH2:35]1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C.O>[CH3:8][S:9]([C:12]1[CH:13]=[CH:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH:26]3[CH2:31][CH2:30][N:29]([C:38]([C:34]4([C:33]([F:42])([F:41])[F:32])[CH2:37][CH2:36][CH2:35]4)=[O:39])[CH2:28][CH2:27]3)=[CH:20][CH:19]=2)=[CH:16][CH:17]=1)(=[O:11])=[O:10] | 2 |
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[S:9]([NH:12][C:13]1[C:18](Cl)=[N:17][C:16]([Cl:20])=[CH:15][N:14]=1)(=[O:11])=[O:10].[CH2:21]([OH:25])[CH2:22][CH2:23][CH3:24]>>[CH2:21]([O:25][C:18]1[C:13]([NH:12][S:9]([C:3]2[CH:4]=[CH:5][CH:6]=[C:7]([Cl:8])[C:2]=2[Cl:1])(=[O:11])=[O:10])=[N:14][CH:15]=[C:16]([Cl:20])[N:17]=1)[CH2:22][CH2:23][CH3:24] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][CH:7]=[C:6]2[C:12]1[N:20]([S:21]([C:24]2[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=2)(=[O:23])=[O:22])[C:15]2=[N:16][CH:17]=[CH:18][CH:19]=[C:14]2[CH:13]=1.[H-].[Na+].Cl[CH2:34][C:35]([O:37][CH2:38][CH3:39])=[O:36]>CN(C)C=O>[CH2:38]([O:37][C:35](=[O:36])[CH2:34][N:8]1[C:9]2[C:5](=[CH:4][C:3]([O:2][CH3:1])=[CH:11][CH:10]=2)[C:6]([C:12]2[N:20]([S:21]([C:24]3[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=3)(=[O:23])=[O:22])[C:15]3=[N:16][CH:17]=[CH:18][CH:19]=[C:14]3[CH:13]=2)=[CH:7]1)[CH3:39] | 1 |
FC1(CN(C1)C(=O)OC(C)(C)C)CN1CCN(CC1)CC1CCN(CC1)C1=NC=NC(=C1)C=1NN=C2C=CC(=CC12)OC1(CC1)C>ClCCl.C(=O)(C(F)(F)F)O>FC1(CNC1)CN1CCN(CC1)CC1CCN(CC1)C1=CC(=NC=N1)C=1NN=C2C=CC(=CC12)OC1(CC1)C | 3 |
ClC1=NC=C(C=N1)C(C(F)(F)F)(C(F)(F)F)O.[N+](=O)([O-])C1=CC=C(S1)S(=O)(=O)N1C[C@@H](NCC1)CN1[C@H](COCC1)C>O1CCOCC1.C(C)(C)N(C(C)C)CC>[N+](=O)([O-])C1=CC=C(S1)S(=O)(=O)N1C[C@@H](N(CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)CN1[C@H](COCC1)C | 3 |
C1([C@H]2C[C@H]3N(C)[C@H](CC3)[C@H]2C(OC)=O)C=CC=CC=1.[F:20][C:21]1[CH:26]=[CH:25][C:24]([C@H:27]2[CH2:33][C@H:32]3[N:34]([CH3:35])[C@H:29]([CH2:30][CH2:31]3)[C@H:28]2[C:36](OC)=[O:37])=[CH:23][CH:22]=1>>[CH:36]([C@H:28]1[C@@H:27]([C:24]2[CH:23]=[CH:22][C:21]([F:20])=[CH:26][CH:25]=2)[CH2:33][C@H:32]2[N:34]([CH3:35])[C@@H:29]1[CH2:30][CH2:31]2)=[O:37] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34][OH:35])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(OC(C)(C)C)=O.CC#N.O>C(Cl)Cl.O.CC#N>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:32])[CH3:33])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH:34]=[O:35])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
[C:1]([N:8]1[CH:12]=[CH:11]N=[CH:9]1)(N1C=CN=C1)=[O:2].CNC1C=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][C:16]=1[CH2:24][OH:25]>C(#N)C.O>[CH3:9][N:8]1[C:12]2[CH:11]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][C:16]=2[CH2:24][O:25][C:1]1=[O:2] | 2 |
[N+](=O)([O-])C=1C(=NC=CC1)NCN1C(CC(C1)CCC)=O>>NC=1C(=NC=CC1)NCN1C(CC(C1)CCC)=O | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][Si:5]([O:10][CH3:11])([O:8][CH3:9])[O:6][CH3:7].[CH2:12]([O:14][C:15](=[O:23])/[CH:16]=[CH:17]\[C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH3:13]>>[CH2:12]([O:14][C:15](=[O:23])[CH:16]([NH:1][CH2:2][CH2:3][CH2:4][Si:5]([O:10][CH3:11])([O:6][CH3:7])[O:8][CH3:9])[CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH3:13] | 2 |
CC(C(=O)O[C@H]1[C@@H](OC([C@H](COC([C@@H]1CC1=CC=CC=C1)=O)NC(=O)C1=NC=CC(=C1OCC1=CC=CC=C1)OC)=O)C)C>>C(C1=CC=CC=C1)[C@H]1C(OC[C@@H](C(O[C@H]([C@@H]1O)C)=O)NC(=O)C1=NC=CC(=C1OCC1=CC=CC=C1)OC)=O | 5 |
ClC1=CC(=NC(=C1)Cl)C(=O)OC>CO[H].[Na+].[BH4-].[Cl-].[NH4+]>ClC1=CC(=NC(=C1)Cl)CO | 3 |
BrC=1C=NC=NC1.N1(CCNCC1)OC(=O)[C@@H]1CC[C@H](CC1)CN1C(N(C2=C1C=C(C=C2)OC)C)=O>>COC1=CC2=C(N(C(N2C[C@@H]2CC[C@H](CC2)C(=O)N2CCN(CC2)C=2C=NC=NC2)=O)C)C=C1 | 5 |
C1(CC1)NC(C1=CC(=C(C=C1)C)B1OC(C(O1)(C)C)(C)C)=O.ClC=1C=C2C=NN=C(C2=CC1)N1C[C@@H]2N(CC1)C(OC2)=O>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.[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.C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1)C)C1CCCCC1>O=C1OC[C@H]2N1CCN(C2)C2=NN=CC1=CC(=CC=C21)C=2C=C(C(=O)NC1CC1)C=CC2C | 3 |
FC(S(=O)(=O)[O-])(F)F.FC([S+]1C2=C(C3=C1C=CC=C3)C=CC=C2)(F)F.S=C1N(C(C2=C(N1)NC=C2)=O)C2=CC=C(C=C2)OCC(F)(F)F>>FC(COC1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CN2)SC(F)(F)F)(F)F | 5 |
FC(CN)F.C(C1=CC=CC=C1)N1CC2=NC(=C(N=C2CC1)N1CCC(CC1)OC1=C(C=C(C=C1)F)F)Cl>>C(C1=CC=CC=C1)N1CC2=NC(=C(N=C2CC1)N1CCC(CC1)OC1=C(C=C(C=C1)F)F)NCC(F)F | 5 |
FC1=C(C(=CC=C1O)F)NC(C1=C(C(=CC(=C1)OC)C1=CC(=CC=C1)F)F)=O>>FC1=C(C=CC(=C1NCC1=C(C(=CC(=C1)OC)C1=CC(=CC=C1)F)F)F)O | 5 |
[O-]O.[C:3]1([CH:9]([CH3:11])[CH3:10])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C1C(Cl)=CC=C(Cl)C=1.C(OCC1OC1)(=O)C(C)=C>>[CH3:11][C:9]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1)=[CH2:10].[CH3:11][C:9]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1)=[CH2:10] | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]2[C:16](=[O:17])[C:15]3=[CH:18][CH:19]=[CH:20][CH:21]=[C:14]3[C:13]2=[O:22])[N:3]=1.[F:23][C:24]([F:30])([F:29])[CH2:25][N:26]=[C:27]=[S:28]>C(#N)C>[F:23][C:24]([F:30])([F:29])[CH2:25][NH:26][C:27](=[S:28])[NH:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]2[C:13](=[O:22])[C:14]3=[CH:21][CH:20]=[CH:19][CH:18]=[C:15]3[C:16]2=[O:17])[N:3]=1 | 1 |
ClC1=C(C=CC=C1)B(O)O.IC1=CC=CC2=C1NC(=NS2(=O)=O)NC=2C=NC(=CC2)C(C)C>O.Cl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>ClC1=C(C=CC=C1)C1=CC=CC2=C1NC(=NS2(=O)=O)NC=2C=NC(=CC2)C(C)C | 3 |
FC(C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)O)(F)F.Cl.C[C@H]1N(CCNC1)C=1C=NC(=CC1)[N+](=O)[O-]>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>C[C@@H]1CN(CCN1C=1C=NC(=CC1)[N+](=O)[O-])C(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F | 3 |
C(C)(=O)OC(C)=O.ClC1=CC=C2C(=C1)NC(C21C(NC(CC1C1=C(C=CC(=C1)Cl)OC(CC)(C(=O)NS(=O)(=O)C)CC)=O)C1=C(C=CC(=C1)F)C)=O>>C(C)(=O)N1C(C2(C(NC(CC2C2=C(C=CC(=C2)Cl)OC(CC)(C(=O)NS(=O)(=O)C)CC)=O)C2=C(C=CC(=C2)F)C)C2=CC=C(C=C12)Cl)=O | 5 |
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(=O)OC(C)(C)C)CC=1C=NC=NC1C1=C(C=CC=C1)C>C(=O)(C(F)(F)F)O.[Cl-].[Ca+2].[Cl-]>Cl.C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](C(=O)O)CC=1C=NC=NC1C1=C(C=CC=C1)C | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([OH:14])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[CH2:17](I)[CH3:18]>CN(C=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][CH2:17][CH3:18])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
Cl.[OH2:2].[OH:3][C:4]12[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][C:14]=3[N+:16]([O-])=O)[C:9](=[O:19])[C:8]1([NH:20][C:21]([C:23]1[NH:24][C:25](=[O:33])[C:26]3[C:31]([CH:32]=1)=[CH:30][CH:29]=[CH:28][CH:27]=3)=[O:22])[C:7]1[CH:34]=[CH:35][C:36]([CH:38]([CH3:40])[CH3:39])=[CH:37][C:6]=1O2>C(O)C.[Fe]>[NH2:16][C:14]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:15]=1[C:4](=[O:3])[C:8]1([NH:20][C:21]([C:23]3[NH:24][C:25](=[O:33])[C:26]4[C:31]([CH:32]=3)=[CH:30][CH:29]=[CH:28][CH:27]=4)=[O:22])[C:7]3[CH:34]=[CH:35][C:36]([CH:38]([CH3:40])[CH3:39])=[CH:37][C:6]=3[O:2][C:9]12[OH:19] | 2 |
Br[C:2]1[CH:16]=[C:15]([CH2:17][N:18]([CH3:30])[S:19]([C:22]2[CH:27]=[CH:26][C:25]([F:28])=[C:24]([Cl:29])[CH:23]=2)(=[O:21])=[O:20])[CH:14]=[CH:13][C:3]=1[O:4][CH2:5][C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7].[F:31][C:32]1[CH:33]=[C:34](B(O)O)[CH:35]=[C:36]([O:38][CH3:39])[CH:37]=1.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.O>[F:31][C:32]1[CH:33]=[C:34]([C:2]2[CH:16]=[C:15]([CH2:17][N:18]([CH3:30])[S:19]([C:22]3[CH:27]=[CH:26][C:25]([F:28])=[C:24]([Cl:29])[CH:23]=3)(=[O:21])=[O:20])[CH:14]=[CH:13][C:3]=2[O:4][CH2:5][C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])[CH:35]=[C:36]([O:38][CH3:39])[CH:37]=1 | 1 |
C(#N)C=1C(OC(C1C)(C)C)=C(C#N)C#N.C(CCC)N(C1=CC(=C(C=C1)C=CC=CC1=CC=C(S1)C=O)OC)CCCC>>C(CCC)N(C1=CC(=C(C=C1)C=CC=CC1=CC=C(S1)C=CC1=C(C(OC1(C)C)=C(C#N)C#N)C#N)OC)CCCC | 5 |
C(C)OC1=CC=C(CCl)C=C1.COC(CC1=COC2=C1C=CC(=C2)O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC1=CC=C(COC2=CC3=C(C(=CO3)CC(=O)OC)C=C2)C=C1 | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][OH:5].[CH3:6][O:7][C:8]1[CH:15]=[CH:14][CH:13]=[CH:12][C:9]=1[CH2:10]Cl>>[CH3:6][O:7][C:8]1[CH:15]=[CH:14][CH:13]=[CH:12][C:9]=1[CH2:10][NH:1][CH2:2][CH2:3][CH2:4][OH:5] | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.BrCC1=CC=CC=2C(COC21)=O>ClCCl.C(C)(=O)[O-].[Na+]>O=C1COC2=C1C=CC=C2CN2CCN(CC2)C(=O)OC(C)(C)C | 3 |
CN1N=CC(=C1CCC1=CC=C(C=C1)C(F)(F)F)N1N=CC=C1>>IC=1C=NN(C1)C=1C=NN(C1CCC1=CC=C(C=C1)C(F)(F)F)C | 5 |
BrCC(C)=O.BrC1=C(C(=C(C=C1)C=1C(=NNC1)C(F)(F)F)F)F>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C(=C(C=C1)C=1C(=NN(C1)CC(C)=O)C(F)(F)F)F)F | 3 |
C1COCCN1.FC(C=1C=C(CON=C2CCN(CC2)S(=O)(=O)C=C)C=CC1)(F)F>>FC(C=1C=C(CON=C2CCN(CC2)S(=O)(=O)CCN2CCOCC2)C=CC1)(F)F | 5 |
I[CH:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.Br[C:16]1[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[CH:18][N:17]=1.CCN(C(C)C)C(C)C>C1COCC1.[Zn].C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.[Fe+2].[Cu](I)I>[C:20]([C:19]1[CH:22]=[CH:23][C:16]([CH:2]2[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]2)=[N:17][CH:18]=1)#[N:21] | 2 |
C(#N)C1=NC=CC=C1F.COC1=C(CN)C=CC(=C1)OC>>COC1=C(CNC=2C(=NC=CC2)C#N)C=CC(=C1)OC | 5 |
C(C=C)(=O)OCC.OC1=C(CCC2=CC=CC=C12)C(=O)OCC=C>C(O)([O-])=O.[Na+].FC(S(=O)(=O)O)(F)F>C(C)OC(CCC1(C(C2=CC=CC=C2CC1)=O)C(=O)OCC=C)=O | 3 |
[Na+:1].[Na+].[CH2:3]([NH:11][C:12]1[CH:13]=[C:14]([C:21]([O-:23])=[O:22])[C:15](=[CH:19][CH:20]=1)[C:16]([O-:18])=[O:17])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[Na+].[Na+].[CH2:26](NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]C.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCC.[Na+].[Na+].CC(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCCCC.[Na+].[Na+].CC(C)CCCCCCCCCCCCCNC1C=C(C([O-])=O)C(=CC=1)C([O-])=O.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCCCCCCC.[Na+].[Na+].C(NC1C=C(C([O-])=O)C(=CC=1)C([O-])=O)CCCCCCCCCCCCCCCCCC>>[Na+:1].[Na+:1].[CH2:3]([NH:11][C:12]1[CH:13]=[C:14]([C:21]([O-:23])=[O:22])[C:15](=[CH:19][CH:20]=1)[C:16]([O-:18])=[O:17])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.OCC#CC=1C=C2CCC(C2=CC1)=O>N(C)(C)C=O.c1cnc[nH]1>CC(C)(C)[Si](OCCCC=1C=C2CCC(C2=CC1)=O)(C)C | 3 |
P(Br)(Br)[Br:2].O[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][C:14]#[N:15])=[CH:9][CH:8]=1.O>CC(OC)(C)C>[Br:2][CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][C:14]#[N:15])=[CH:9][CH:8]=1 | 1 |
FC1=C(OC2=C3C(=NC=C2)C=C(S3)C3=CCN(CC3)C(=O)OC(C)(C)C)C=CC(=C1)NC(=O)C=1C(N(N=CC1)C1=CC=C(C=C1)F)=O>>FC=1C=C(C=CC1OC1=C2C(=NC=C1)C=C(S2)C=2CCNCC2)NC(=O)C=2C(N(N=CC2)C2=CC=C(C=C2)F)=O | 5 |
[CH2:1]([O:8][CH2:9][CH:10]([O:12][C:13](=[O:18])[CH2:14][C:15]([CH3:17])=O)[CH3:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:19][C:20]([F:30])([F:29])[C:21]1[CH:28]=[CH:27][CH:26]=[CH:25][C:22]=1[CH:23]=O.[NH3:31].[OH2:32]>C(O)C>[CH2:1]([O:8][CH2:9][CH:10]([O:12][C:13]([C:14]1[CH:23]([C:22]2[CH:25]=[CH:26][CH:27]=[CH:28][C:21]=2[C:20]([F:30])([F:29])[F:19])[C:14]([C:13]([O:12][CH:10]([CH2:9][O:8][CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH3:11])=[O:32])=[C:15]([CH3:17])[NH:31][C:15]=1[CH3:17])=[O:18])[CH3:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
Cl[C:2]1[N:7]=[CH:6][C:5]([C:8]([C:10]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][C:11]=2[O:12][C:13]([CH3:22])([CH3:21])[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])=[O:9])=[CH:4][CH:3]=1.[CH2:29]([OH:36])[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.[H-].[Na+].[Cl-].[NH4+]>CN(C)C=O>[CH2:29]([O:36][C:2]1[N:7]=[CH:6][C:5]([C:8]([C:10]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23][C:11]=2[O:12][C:13]([CH3:22])([CH3:21])[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])=[O:9])=[CH:4][CH:3]=1)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1 | 2 |
COC=1C=C(C=CC1)B(O)O.C(C)(C)(C)OC(=O)N(C=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C)C1=NC(=NC(=C1)N1CCN(CC1)C(=O)OC(C)(C)C)Cl>O.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>C(C)(C)(C)OC(=O)N(C=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C)C1=NC(=NC(=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C1=CC(=CC=C1)OC | 3 |
C(O[C:4]([C:6]1[C:7]([OH:22])=[C:8]2[C:14]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[F:21])=[N:13][S:12][C:9]2=[CH:10][N:11]=1)=[O:5])C.[NH2:23][CH2:24][C:25]([OH:27])=[O:26]>>[F:21][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[C:14]1[C:8]2[C:9](=[CH:10][N:11]=[C:6]([C:4]([NH:23][CH2:24][C:25]([OH:27])=[O:26])=[O:5])[C:7]=2[OH:22])[S:12][N:13]=1 | 1 |
[CH3:1][C:2]([O:5][C:6]([NH:8][C@H:9]([C:16]([OH:18])=[O:17])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[O:7])([CH3:4])[CH3:3].[CH:19]1(O)[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1.C1CCC(N=C=NC2CCCCC2)CC1.CCOC(C)=O>CN(C1C=CN=CC=1)C.C(Cl)Cl>[CH:19]1([O:17][C:16](=[O:18])[CH:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1 | 2 |
Cl.FC=1C=C(C(=O)O)C=CC1OCCN1CCCCC1>C1(=CC=CC=C1)C.ClS(Cl)=O>Cl.FC=1C=C(C(=O)Cl)C=CC1OCCN1CCCCC1 | 3 |
C(CC)N(CCCCN)CCC.C(C)(C)(C)OC(=O)NCC=1C=C(C(C(=O)O)=CC1)C(=O)O>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>C(C)(C)(C)OC(NCC=1C=C2C(N(C(C2=CC1)=O)CCCCN(CCC)CCC)=O)=O | 3 |
CC=1C(=C(C=CC1)NC(OC(C)(C)C)=O)[N+](=O)[O-]>N(C)(C)C=O.[H-].[Na+].C(C)I>C(C)N(C(OC(C)(C)C)=O)C1=C(C(=CC=C1)C)[N+](=O)[O-] | 3 |
CS(=O)(=O)Cl.ClC1=CC=C(OC2=CC=C(C=C2)N2C([C@H](C[C@@H]2C2=CC(=CC=C2)C(F)(F)F)CCO)=O)C=C1>ClCCl.CCN(CC)CC>CS(=O)(=O)OCC[C@@H]1C(N([C@H](C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=C(C=C1)OC1=CC=C(C=C1)Cl)=O | 3 |
ClC1=NN=C(C2=CC=CC=C12)C1=CC=CC=C1.NC1=CC=C(OC2=NC=CC=C2C=2C(=NNC2)C#N)C=C1>CC(C)(C)O>C1(=CC=CC=C1)C1=NN=C(C2=CC=CC=C12)NC1=CC=C(OC2=NC=CC=C2C=2C(=NNC2)C#N)C=C1 | 3 |
Br[C:2]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][C:3]=1[CH:4]=[O:5].[CH3:11][O:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[CH2:18])=[CH:15][CH:14]=1.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.C(N(CC)CC)C>CN(C=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:10][C:7]1[CH:8]=[CH:9][C:2](/[CH:18]=[CH:17]/[C:16]2[CH:19]=[CH:20][C:13]([O:12][CH3:11])=[CH:14][CH:15]=2)=[C:3]([CH:6]=1)[CH:4]=[O:5] | 1 |
N(=[N+]=[N-])C(C(F)(F)F)C1=CC=C(C=C1)OC(F)(F)F>CO[H].[HH].[Pd]>FC(C(N)C1=CC=C(C=C1)OC(F)(F)F)(F)F | 3 |
Cl[C:2]1[C:7]([NH:8][C:9]([C:11]2[C:12]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=3)=[N:13][CH:14]=[CH:15][CH:16]=2)=[O:10])=[CH:6][CH:5]=[CH:4][N:3]=1.[H-].[Na+].CO.O1CCCC1>O1CCOCC1.C(O)(=O)C>[CH3:26][O:25][C:22]1[CH:23]=[CH:24][C:19]([CH2:18][N:17]2[C:12]3[N:13]=[CH:14][CH:15]=[CH:16][C:11]=3[C:9](=[O:10])[NH:8][C:7]3[CH:6]=[CH:5][CH:4]=[N:3][C:2]2=3)=[CH:20][CH:21]=1 | 1 |
[CH3:1][S:2][C:3]1[C:4]2[S:11][CH:10]=[C:9]([CH:12]=[O:13])[C:5]=2[N:6]=[CH:7][N:8]=1.CS(C)=[O:16].[O-]Cl=O.[Na+]>O.CC(C)=O>[CH3:1][S:2][C:3]1[C:4]2[S:11][CH:10]=[C:9]([C:12]([OH:16])=[O:13])[C:5]=2[N:6]=[CH:7][N:8]=1 | 1 |
[H-].[Na+].CN(C)[CH:5]=[CH:6][C:7]([C:9]1[NH:13][C:12]([CH3:14])=[N:11][CH:10]=1)=O.C(=O)(O)O.[C:20]1([NH:26][C:27]([NH2:29])=[NH:28])[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>C(O)CCC>[NH:26]([C:27]1[N:29]=[C:7]([C:9]2[NH:13][C:12]([CH3:14])=[N:11][CH:10]=2)[CH:6]=[CH:5][N:28]=1)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1 | 2 |
[O:1]=[C:2]1[CH2:8][CH2:7][CH2:6][N:5]([C:9]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:10])[CH2:4][CH2:3]1.[F:19][C:20]([Si](C)(C)C)([F:22])[F:21]>[F-].[Cs+]>[OH:1][C:2]1([C:20]([F:22])([F:21])[F:19])[CH2:8][CH2:7][CH2:6][N:5]([C:9]([O:11][CH2:12][C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)=[O:10])[CH2:4][CH2:3]1 | 1 |
FC(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F.FC1=C(C=CC=C1)[C@@]12N=C(SC[C@@H]1C[C@H](CC2)O)NC(OC(C)(C)C)=O>>F[C@H]1C[C@@H]2[C@@](N=C(SC2)NC(OC(C)(C)C)=O)(CC1)C1=C(C=CC=C1)F | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC2=C([C@@H](CO2)N)C=C1>O.ClCCl.CCN(CC)CC>BrC1=CC2=C([C@@H](CO2)NC(OC(C)(C)C)=O)C=C1 | 3 |
C1(CC1)S(=O)(=O)N.C1(CC1)C=1C(=CC(=C(C(=O)O)C1)F)OCC1C(CCCC1)C>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>C1(CC1)C=1C(=CC(=C(C(=O)NS(=O)(=O)C2CC2)C1)F)OCC1C(CCCC1)C | 3 |
C(C)OC(=O)N1C(CC2=CC(=CC=C12)C=1N(N=C(C1)C(F)(F)F)C)=O>ClCCl.C(C)(C)N(C(C)C)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>C(C)OC(=O)N1C(=CC2=CC(=CC=C12)C=1N(N=C(C1)C(F)(F)F)C)OS(=O)(=O)C(F)(F)F | 3 |
C(C=O)(=O)OCC.C(C1=CC=CC=C1)OC1=C(C=C(C=C1)Br)N>CC#N.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)OC(CNC1=C(C=CC(=C1)Br)OCC1=CC=CC=C1)=O | 3 |
C(C)(C)OC(=O)Cl.CS(=O)(=O)C1=CC=C(C=C1)C1=NC=C(C=C1)OC(C)C1CCNCC1>C1CCCO1.ClCCl.C(C)(C)N(C(C)C)CC>CS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=N1)OC(C)C1CCN(CC1)C(=O)OC(C)C | 3 |
C(=S)=S.CC1=C(N=CN1)CS(=O)CCN>>CC1=C(N=CN1)CS(=O)CCNC(S)=S | 3 |
CC1C(CN(CC1)C(=O)OC(C)(C)C)C1=NC=C2N1C1=C(N=C2)N(C=C1)S(=O)(=O)C1=CC=C(C)C=C1>>C1(=NC=C2N1C1=C(N=C2)NC=C1)C1CN(CCC1C)C(=O)OC(C)(C)C | 5 |
NC1=NNC=C1C(=O)C=1SC=CC1.ClC1=C(C=C(C=C1)C(C=CN(C)C)=O)N(S(=O)(=O)C)C>C(C)(=O)O>ClC1=C(C=C(C=C1)C1=CC=NC=2N1N=CC2C(=O)C=2SC=CC2)N(S(=O)(=O)C)C | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][C:18]=1[F:19])[NH:15][CH:14]=[C:13]([C:20]#[N:21])[C:12]2=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P(Cl)(Cl)([Cl:25])=O>>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][C:18]=1[F:19])[N:15]=[CH:14][C:13]([C:20]#[N:21])=[C:12]2[Cl:25])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[C:4]([CH2:9][CH2:10][CH3:11])[N:3]=1.[NH:12]1[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1>C(O)C>[Cl:1][C:2]1[N:7]=[C:6]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)[CH:5]=[C:4]([CH2:9][CH2:10][CH3:11])[N:3]=1 | 2 |
C(#N)C1=C(C=C(C=C1)[N+](=O)[O-])NC(C1=CC=C(C=C1)F)=O>C1(=CC=CC=C1)C.O.[HH].[Pd]>NC=1C=CC(=C(C1)NC(C1=CC=C(C=C1)F)=O)C#N | 3 |
ClC=1C(=CC=C2C=C(NC12)C(=O)O)F.N[C@H](C(=O)N[C@H](C(=O)OC)C[C@H]1C(NC(C1)(C)C)=O)CC1CC1>O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>ClC=1C(=CC=C2C=C(NC12)C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C[C@H]1C(NC(C1)(C)C)=O)CC1CC1)F | 3 |
[F:1][CH:2]([F:24])[C@H:3]1[O:11][C@H:10]2[C@H:6]([N:7]=[C:8]([N:12]([CH2:20][CH3:21])[C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])[S:9]2)[C@@H:5]([OH:22])[C@@H:4]1[OH:23].N1C=CN=C1.[CH3:30][C:31]([Si:34](Cl)([CH3:36])[CH3:35])([CH3:33])[CH3:32]>CN(C=O)C>[C:15]([O:14][C:13](=[O:19])[N:12]([C:8]1[S:9][C@H:10]2[O:11][C@H:3]([CH:2]([F:1])[F:24])[C@@H:4]([OH:23])[C@H:5]([O:22][Si:34]([C:31]([CH3:33])([CH3:32])[CH3:30])([CH3:36])[CH3:35])[C@H:6]2[N:7]=1)[CH2:20][CH3:21])([CH3:16])([CH3:17])[CH3:18] | 2 |
C(C)I.OC1=C(C(=O)O)C=CC=N1>O.CO[H].[OH-].[K+]>C(C)N1C(C(=CC=C1)C(=O)O)=O | 3 |
BrCC(=O)OCC.C12CC(CC(CC(C1)=O)C2)=O>>OC12OC3(CC(CC(C1)C3)C2)CC(=O)OCC | 5 |
ClC=1C=C(C=CC1Cl)[C@@H]1CC(=CC2=CC=CC=C12)C(C)NC>CO[H].C=O.C(=O)O>ClC=1C=C(C=CC1Cl)[C@@H]1CC(=CC2=CC=CC=C12)C(C)N(C)C | 3 |
C1COCCN1.IC=1C=C(C=C(C1)[N+](=O)[O-])N1C(COCC1)=O>>O1CCN(CC1)C=1C=C(C=C(C1)[N+](=O)[O-])N1C(COCC1)=O | 5 |
N[C@H]1CCC2=CC=CC=C12.BrC=1C(=NC(=NC1)Cl)N1C(COCC1)C(=O)O>>BrC=1C(=NC(=NC1)Cl)N1C(COCC1)C(=O)N[C@H]1CCC2=CC=CC=C12 | 5 |
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