smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)(C)OC(=O)N1CCC(CC1)C=O.C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=NC(=CC=C1)N1CCNCC1)OCC1=CC=CC=C1>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C1=CC=CC=C1)OC1=NC(CC=C1C1=NC(=CC=C1)N1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C)=O | 3 |
IC.[CH3:3][C:4]([O:7][C:8]([NH:10][C@H:11]([C:17]([OH:19])=[O:18])[CH2:12][CH2:13][CH2:14][CH2:15][OH:16])=[O:9])([CH3:6])[CH3:5].[C:20]([O-])(O)=O.[Na+]>CN(C=O)C>[C:4]([O:7][C:8]([NH:10][C@@H:11]([CH2:12][CH2:13][CH2:14][CH2:15][OH:16])[C:17]([O:19][CH3:20])=[O:18])=[O:9])([CH3:3])([CH3:5])[CH3:6] | 2 |
Cl[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12]([O:14][C:15](C)(C)C)=[O:13])[C:6]([CH3:19])=[C:5]2[C:20]1[C:29]2[C:24](=CC=CC=2)[C:23]([Cl:30])=[N:22][N:21]=1.ClC1N=NC(C2C3C(=CC=C([F:47])C=3)NC=2C)=CC=1.C(=O)([O-])[O-].[K+].[K+].BrCC(OC)=O>>[Cl:30][C:23]1[N:22]=[N:21][C:20]([C:5]2[C:4]3[C:8](=[CH:9][CH:10]=[C:2]([F:47])[CH:3]=3)[N:7]([CH2:11][C:12]([O:14][CH3:15])=[O:13])[C:6]=2[CH3:19])=[CH:29][CH:24]=1 | 2 |
C(C1=CC=CC=C1)N1CC=2N(CC1)C(=NC2)CNCC2=C(C=C(C=C2)OC)OC>>FC(C(=O)O)(F)F.C(C1=CC=CC=C1)N1CC=2N(CC1)C(=NC2)CN | 5 |
C[O:2][C:3]([O:7][Si](C)(C)C)=[C:4]([CH3:6])[CH3:5].C([N+](CC[CH2:27][CH3:28])(CCCC)CCCC)CCC.[C:29]([O:34][Si](C)(C)C)(=[O:33])[C:30]([CH3:32])=[CH2:31].C(OCCC1C=CC=CC=1)(=[O:43])C(C)=C.C(O)(=O)C(C)=C.[CH2:59]([O:61][CH:62]([OH:71])[CH2:63][O:64][CH2:65][CH2:66][O:67]CCO)[CH3:60].O.O.O.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1(=O)OC(C)CO1.C1COCC1.CO>[C:3]([OH:7])(=[O:2])[C:4]([CH3:6])=[CH2:5].[C:29]([OH:34])(=[O:33])[C:30]([CH3:32])=[CH2:31].[CH3:60][CH2:59][O:61][CH:62]([OH:71])[CH2:63][O:64][CH2:65][CH2:66][O:67][CH2:27][CH2:28][OH:43] | 1 |
[CH:1]1[C:9]([NH2:10])=[CH:8][C:7]2[CH2:11][CH2:12][N:5]3[C:6]=2[C:2]=1[C:3]1[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][C:4]=13.[C:18]1([CH2:24][C:25](Cl)=[O:26])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>ClC(Cl)C>[CH:1]1[C:9]([NH:10][C:25](=[O:26])[CH2:24][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[CH:8][C:7]2[CH2:11][CH2:12][N:5]3[C:6]=2[C:2]=1[C:3]1[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][C:4]=13 | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(N)C=C1.Cl.C1(=CC=CC=C1)NN>C(C)N(CC)CC.C(Cl)(Cl)Cl>COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(C=C1)NC(=O)NNC1=CC=CC=C1 | 3 |
Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8][S:9][CH2:10][CH2:11][C:12]([NH:14][NH2:15])=[O:13].[OH:16][C:17]1[C:34]2[CH2:33][C@@:32]([OH:39])([C:35](=O)[CH2:36][OH:37])[CH2:31][C@H:30]([O:40][C@@H:41]3[O:55][C@@H:54]([CH3:56])[C@H:44]4[O:45][C@H:46]5[N:51]([C@H:43]4[CH2:42]3)[CH2:50][CH2:49][O:48][C@@H:47]5[O:52][CH3:53])[C:29]=2[C:28]([OH:57])=[C:27]2[C:18]=1[C:19](=[O:61])[C:20]1[CH:21]=[CH:22][CH:23]=[C:24]([O:59][CH3:60])[C:25]=1[C:26]2=[O:58]>CO>[OH:37][CH2:36]/[C:35](=[N:15]\[NH:14][C:12](=[O:13])[CH2:11][CH2:10][S:9][S:8][C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][N:2]=1)/[C@@:32]1([OH:39])[CH2:31][C@H:30]([O:40][C@@H:41]2[O:55][C@@H:54]([CH3:56])[C@H:44]3[O:45][C@H:46]4[N:51]([C@H:43]3[CH2:42]2)[CH2:50][CH2:49][O:48][C@@H:47]4[O:52][CH3:53])[C:29]2[C:34](=[C:17]([OH:16])[C:18]3[C:19](=[O:61])[C:20]4[C:25]([C:26](=[O:58])[C:27]=3[C:28]=2[OH:57])=[C:24]([O:59][CH3:60])[CH:23]=[CH:22][CH:21]=4)[CH2:33]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[C:18]([C:21]([NH:23][C:24]4[CH:32]=[CH:31][C:27]([C:28]([OH:30])=[O:29])=[C:26]([F:33])[CH:25]=4)=[O:22])[CH:19]=3)[CH2:14][CH2:13][CH2:12]2)(=[O:10])=[O:9])[CH:5]=[CH:6][CH:7]=1.Cl[C:35]1C=C(S(Cl)(=O)=O)C=C[CH:40]=1>>[CH2:35]([O:29][C:28](=[O:30])[C:27]1[CH:31]=[CH:32][C:24]([NH:23][C:21]([C:18]2[CH:19]=[C:20]3[C:15]([CH2:14][CH2:13][CH2:12][N:11]3[S:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)(=[O:9])=[O:10])=[CH:16][CH:17]=2)=[O:22])=[CH:25][C:26]=1[F:33])[CH3:40] | 1 |
C(C)(C)(C)OC(N[C@H](C)C1=NC(=NO1)C)=O.Cl.COC1CCCC1>>Cl.CC1=NOC(=N1)[C@@H](C)N | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17](Cl)[N:16]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=[NH:35])(C1C=CC=CC=1)C1C=CC=CC=1.CC(C)([O-])C.[Na+].C([O-])(=O)C.[Na+].Cl.NO>CO.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.C1(C)C=CC=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([NH2:35])[N:16]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)O.OC1(CC=CC=C1)C1=CC=CC=C1>CC#N.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(C)(=O)OCC.CCCCCC.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)OC1=CC=C(C=C1)C1=CC=CC=C1 | 3 |
CN1CCNCC1.C1C(C2=CC=CC=C2)O1>C([O-])([O-])=O.[K+].[K+]>CN1CCN(CC1)CC(O)C1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](I)=[CH:4][C:3]=1[F:9].C(=O)([O-])[O-].[Cs+].[Cs+].[C:16]([O:20][CH2:21][CH3:22])(=[O:19])[C:17]#[CH:18]>O1CCCC1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[CH2:21]([O:20][C:16](=[O:19])[C:17]#[C:18][C:5]1[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([F:9])[CH:4]=1)[CH3:22] | 1 |
Cl.Cl.Cl.[NH2:4][CH2:5][C@H:6]([N:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=2)[CH2:13][CH2:12]1)[C:7]([O:9][CH3:10])=[O:8].Cl.[CH3:26][C:27]1[CH:36]=[C:35]([CH2:37][O:38][C:39]2[CH:44]=[CH:43][C:42]([S:45](Cl)(=[O:47])=[O:46])=[CH:41][CH:40]=2)[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[N:28]=1.FC1C=CC(CN2CCN(C(CNS(C3C=CC(OCC4C5C(=CC=CC=5)N=C(C)C=4)=CC=3)(=O)=O)C([O-])=O)CC2)=CC=1>>[F:24][C:21]1[CH:20]=[CH:19][C:18]([CH2:17][N:14]2[CH2:13][CH2:12][N:11]([C@@H:6]([CH2:5][NH:4][S:45]([C:42]3[CH:43]=[CH:44][C:39]([O:38][CH2:37][C:35]4[C:34]5[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=5)[N:28]=[C:27]([CH3:26])[CH:36]=4)=[CH:40][CH:41]=3)(=[O:46])=[O:47])[C:7]([O:9][CH3:10])=[O:8])[CH2:16][CH2:15]2)=[CH:23][CH:22]=1 | 1 |
[CH:1]([N:14]1[C:22]2[C:17](=[CH:18][C:19]([Cl:23])=[CH:20][CH:21]=2)[C:16]([CH2:24][CH2:25][S:26]([C:29]2[CH:38]=[CH:37][C:32]([C:33]([O:35]C)=[O:34])=[CH:31][CH:30]=2)(=[O:28])=[O:27])=[C:15]1[CH2:39][CH2:40][NH:41][S:42]([CH2:45][C:46]1[CH:51]=[CH:50][C:49]([Cl:52])=[C:48]([Cl:53])[CH:47]=1)(=[O:44])=[O:43])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1COCC1.[OH-].[Na+]>CO>[CH:1]([N:14]1[C:22]2[C:17](=[CH:18][C:19]([Cl:23])=[CH:20][CH:21]=2)[C:16]([CH2:24][CH2:25][S:26]([C:29]2[CH:38]=[CH:37][C:32]([C:33]([OH:35])=[O:34])=[CH:31][CH:30]=2)(=[O:28])=[O:27])=[C:15]1[CH2:39][CH2:40][NH:41][S:42]([CH2:45][C:46]1[CH:51]=[CH:50][C:49]([Cl:52])=[C:48]([Cl:53])[CH:47]=1)(=[O:43])=[O:44])([C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
[NH:1]1[C:5]2[CH2:6][CH2:7][NH:8][CH2:9][CH2:10][C:4]=2[N:3]=[C:2]1[C:11]1[C:12]([CH3:22])=[CH:13][C:14]([CH3:21])=[C:15]([CH:20]=1)[C:16](OC)=[O:17].Cl.[CH:24]1(C2C(C3NC4CCNCCC=4N=3)=CC(C(OC)=O)=C(C)C=2)CCC1.Cl.[Cl:50][C:51]1[CH:56]=[CH:55][C:54]([CH:57]2[CH2:60][NH:59][CH2:58]2)=[CH:53][CH:52]=1.Cl.N1CC(C2C=CC(C#N)=CC=2)C1>>[Cl:50][C:51]1[CH:52]=[CH:53][C:54]([CH:57]2[CH2:58][N:59]([C:16]([C:15]3[CH:20]=[C:11]([C:2]4[NH:1][C:5]5[CH2:6][CH2:7][N:8]([CH3:24])[CH2:9][CH2:10][C:4]=5[N:3]=4)[C:12]([CH3:22])=[CH:13][C:14]=3[CH3:21])=[O:17])[CH2:60]2)=[CH:55][CH:56]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([CH3:15])[NH:13][C:12](=[O:14])[CH2:11][O:10][CH2:9]2)[CH:5]=[CH:6][CH:7]=1.F[B-](F)(F)F.[CH3:21][O+](C)C>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([CH3:15])[N:13]=[C:12]([O:14][CH3:21])[CH2:11][O:10][CH2:9]2)[CH:5]=[CH:6][CH:7]=1 | 1 |
CN(C=CC(=O)C1=NN(C=CC1=O)C1=C(C=CC=C1)C)C>>CC1=C(C=CC=C1)N1N=C(C(C=C1)=O)C1=CC=NN1C1=CC=CC=C1 | 5 |
IC1=CC(=C(C=C1)Cl)Cl.C(C#C)N1C(C(C2=CC=CC=C12)=O)=O>[Cu]I.N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC>ClC=1C=C(C=CC1Cl)C#CCN1C(C(C2=CC=CC=C12)=O)=O | 3 |
[NH2:1][C:2]([NH2:4])=[S:3].[CH3:5][O:6][N:7]=[C:8]([C:24](=O)[CH2:25]Br)[C:9]([NH:11][CH:12]1[C:22](=[O:23])[N:14]2[C:15]([C:19]([OH:21])=[O:20])=[CH:16][CH2:17][S:18][C@H:13]12)=[O:10]>C(O)C>[NH2:1][C:2]1[S:3][CH:25]=[C:24]([C:8](=[N:7][O:6][CH3:5])[C:9]([NH:11][CH:12]2[C:22](=[O:23])[N:14]3[C:15]([C:19]([OH:21])=[O:20])=[CH:16][CH2:17][S:18][C@H:13]23)=[O:10])[N:4]=1 | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:21]=[CH:22][C:23]=1[F:24])[O:5][C:6]1[N:11]=[C:10]2[S:12][C:13]([NH:15][C:16]([CH:18]3[CH2:20][CH2:19]3)=[O:17])=[N:14][C:9]2=[CH:8][CH:7]=1.[F:25][C:26]([F:38])([F:37])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[CH2:33][C:34](O)=[O:35].F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>N1C=CC=CC=1.C(OCC)(=O)C>[F:24][C:23]1[CH:22]=[CH:21][C:4]([O:5][C:6]2[N:11]=[C:10]3[S:12][C:13]([NH:15][C:16]([CH:18]4[CH2:20][CH2:19]4)=[O:17])=[N:14][C:9]3=[CH:8][CH:7]=2)=[CH:3][C:2]=1[NH:1][C:34](=[O:35])[CH2:33][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][C:27]=1[C:26]([F:37])([F:25])[F:38] | 1 |
[O:1]=[C:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[CH:12][C:11]([N:14]3[CH2:18][C@H:17]([CH2:19][NH:20][C:21](=[O:23])[CH3:22])[O:16][C:15]3=[O:24])=[CH:10][CH:9]=2)[CH2:4][CH2:3]1.[CH2:25](O)[CH2:26][OH:27].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[O:27]1[C:2]2([CH2:7][CH2:6][N:5]([C:8]3[CH:9]=[CH:10][C:11]([N:14]4[CH2:18][C@H:17]([CH2:19][NH:20][C:21](=[O:23])[CH3:22])[O:16][C:15]4=[O:24])=[CH:12][CH:13]=3)[CH2:4][CH2:3]2)[O:1][CH2:25][CH2:26]1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:29]=[CH:30][CH:31]=1)[CH2:6][C:7]1[O:11][C:10]([NH:12][C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[N:18](C(OC(C)(C)C)=O)[N:17]=[CH:16]3)=[N:9][N:8]=1.[ClH:32]>O1CCOCC1>[ClH:32].[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:29]=[CH:30][CH:31]=1)[CH2:6][C:7]1[O:11][C:10]([NH:12][C:13]2[CH:14]=[C:15]3[C:19](=[CH:20][CH:21]=2)[NH:18][N:17]=[CH:16]3)=[N:9][N:8]=1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[CH:8][C:9]([N:12]2[CH2:17][CH2:16][CH:15]([NH2:18])[CH2:14][CH2:13]2)=[N:10][CH:11]=1)=[O:5])[CH3:2].C(N(CC)CC)C.[CH:26]1[N:30]=[CH:29][N:28]([C:31](N2C=NC=C2)=[O:32])[CH:27]=1>C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[CH:8][C:9]([N:12]2[CH2:17][CH2:16][CH:15]([NH:18][C:31]([N:28]3[CH:27]=[CH:26][N:30]=[CH:29]3)=[O:32])[CH2:14][CH2:13]2)=[N:10][CH:11]=1)=[O:5])[CH3:2] | 2 |
[CH3:1][CH2:2][CH:3]([OH:6])[CH2:4][CH3:5].[H-].[Na+].[Cl:9][C:10]([Cl:14])([Cl:13])[C:11]#[N:12]>CCOCC>[Cl:9][C:10]([Cl:14])([Cl:13])[C:11](=[NH:12])[O:6][CH:3]([CH2:4][CH3:5])[CH2:2][CH3:1] | 1 |
Cl[C:2]1[C:3](=[O:18])[N:4]([CH:15]([CH3:17])[CH3:16])[S:5](=[O:14])(=[O:13])[C:6]=1[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[Cl:19][C:20]1[C:21]([N:30]2[CH2:33][CH:32]([NH2:34])[CH2:31]2)=[N:22][CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:25]=1>CN(C=O)C.CCOC(C)=O>[Cl:19][C:20]1[C:21]([N:30]2[CH2:31][CH:32]([NH:34][C:2]3[C:3](=[O:18])[N:4]([CH:15]([CH3:17])[CH3:16])[S:5](=[O:14])(=[O:13])[C:6]=3[C:7]3[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH2:33]2)=[N:22][CH:23]=[C:24]([C:26]([F:28])([F:29])[F:27])[CH:25]=1 | 1 |
C(C1=CC=CC=C1)OCCBr.CC1(CC2=C(C(N1)=O)C(=CO2)C(=O)O)C>>C(C1=CC=CC=C1)OCCN1C(C2=C(CC1(C)C)OC=C2C(=O)O)=O | 5 |
C(C)(C)(C)C1=NOC(=N1)C(=O)NCC1=C(C=C(C=C1)C=1C2=C(N=CN1)NC(=C2)C2=CC=C(C=C2)C2CCNCC2)C.O=C1N(CCC(N1)=O)C1=C(C=C(C=C1)N1CCC(CC1)CC=O)C>O.CO[H].ClCCl.C(C)(=O)O>C(C)(C)(C)C1=NOC(=N1)C(=O)NCC1=C(C=C(C=C1)C=1C2=C(N=CN1)NC(=C2)C2=CC=C(C=C2)C2CCN(CC2)CCC2CCN(CC2)C2=CC(=C(C=C2)N2C(NC(CC2)=O)=O)C)C | 3 |
[NH2:1][C:2]1[N:3]=[N:4][C:5]([C:8]2[CH:17]=[CH:16][C:11]([C:12]([O:14][CH3:15])=[O:13])=[C:10]([Cl:18])[CH:9]=2)=[CH:6][N:7]=1.Cl[CH:20]([CH2:30][C:31]1[CH:32]=[C:33]2[C:38](=[CH:39][CH:40]=1)[N:37]=[CH:36][CH:35]=[CH:34]2)[CH:21](N1C(=O)CCC1=O)O>C(O)CCC>[Cl:18][C:10]1[CH:9]=[C:8]([C:5]2[CH:6]=[N:7][C:2]3[N:3]([C:20]([CH2:30][C:31]4[CH:32]=[C:33]5[C:38](=[CH:39][CH:40]=4)[N:37]=[CH:36][CH:35]=[CH:34]5)=[CH:21][N:1]=3)[N:4]=2)[CH:17]=[CH:16][C:11]=1[C:12]([O:14][CH3:15])=[O:13] | 1 |
ClC1=NC=C(C(=N1)Cl)Cl.NC1=C(C2=CC=CC=C2C=C1)P(C)(C)=O>C(C)(C)N(C(C)C)CC.C(CCC)O>ClC1=NC=C(C(=N1)NC1=C(C2=CC=CC=C2C=C1)P(C)(C)=O)Cl | 3 |
N1([C:6]([N:8]2[CH2:13][CH2:12][N:11]([C:14](=[O:23])[CH2:15][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[CH2:10][CH2:9]2)=[O:7])C=CN=C1.CI.C(N(CC)CC)C.[CH2:33]([O:40][C:41]1[C:50]2[C:45](=[CH:46][CH:47]=[CH:48][CH:49]=2)[N:44]=[C:43]([CH2:51][OH:52])[C:42]=1[CH3:53])[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1>C(#N)C>[C:17]1([CH2:16][CH2:15][C:14]([N:11]2[CH2:12][CH2:13][N:8]([C:6]([O:52][CH2:51][C:43]3[C:42]([CH3:53])=[C:41]([O:40][CH2:33][C:34]4[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=4)[C:50]4[C:45](=[CH:46][CH:47]=[CH:48][CH:49]=4)[N:44]=3)=[O:7])[CH2:9][CH2:10]2)=[O:23])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 1 |
COC1C=C(C=CC=1)CN(CC1C=CC(C(OC)=O)=CC=1)S(C1C=CC(Cl)=CC=1)(=O)=O.[Cl:32][C:33]1[CH:38]=[CH:37][C:36]([S:39]([NH:42][CH2:43][C:44]2[CH:49]=[CH:48][C:47]([C:50]#[N:51])=[CH:46][CH:45]=2)(=[O:41])=[O:40])=[CH:35][CH:34]=1.Br.Br[CH2:54][C:55]1[C:64]2[C:59](=[CH:60][CH:61]=[CH:62][CH:63]=2)[CH:58]=[CH:57][N:56]=1>>[Cl:32][C:33]1[CH:38]=[CH:37][C:36]([S:39]([N:42]([CH2:43][C:44]2[CH:49]=[CH:48][C:47]([C:50]#[N:51])=[CH:46][CH:45]=2)[CH2:54][C:55]2[C:64]3[C:59](=[CH:60][CH:61]=[CH:62][CH:63]=3)[CH:58]=[CH:57][N:56]=2)(=[O:40])=[O:41])=[CH:35][CH:34]=1 | 2 |
COC(CC1=CC2=CC=C(C=C2C(=C1C)CC1=CC=C(C=C1)OCC1=CC=CC=C1)F)=O>CCO[H].[HH].[Pd]>COC(CC1=CC2=CC=C(C=C2C(=C1C)CC1=CC=C(C=C1)O)F)=O | 3 |
C(C1=CC=CC=C1)OC1=C(C=C(C=O)C=C1)Br>>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)CO)Br | 5 |
[C:1]1([NH2:8])[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH2:7].[CH2:9]([C:11]1[CH:12]=[CH:13][C:14]([C:17](O)=O)=[N:15][CH:16]=1)[CH3:10].C(=O)([O-])[O-].[Na+].[Na+]>O>[CH2:9]([C:11]1[CH:12]=[CH:13][C:14]([C:17]2[NH:7][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][C:1]=3[N:8]=2)=[N:15][CH:16]=1)[CH3:10] | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:7]#[N:8])[S:5][CH:6]=1.[Br:9]Br>C(O)(=O)C>[Br:9][C:6]1[S:5][C:4]([C:7]#[N:8])=[CH:3][C:2]=1[CH3:1] | 1 |
CCO[H]>[HH].C(C)(=O)OCC.[Pd]>C(C)(C)(C)C1=CC=C(C=C1)C=1C=C(C=CC1)N(C1=NC=2N(C3=CC(=C(C=C13)F)N)C=NN2)C | 3 |
ClC1=C(C(=C(C=C1)[N+](=O)[O-])OCC1=CC=C(C=C1)Cl)Cl>O.[Fe].CCO[H].[Cl-].[NH4+]>ClC=1C(=C(C=CC1Cl)N)OCC1=CC=C(C=C1)Cl | 3 |
CN1N=CC=C1[Sn](CCCC)(CCCC)CCCC.BrC=1C=C(SC1S(=O)(=O)C1=CC=CC=C1)CN(C(OC(C)(C)C)=O)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CN(C(OC(C)(C)C)=O)CC=1SC(=C(C1)C1=CC=NN1C)S(=O)(=O)C1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)(=O)C(C#N)=CN(C)C.[N+](=O)([O-])[O-].OCCOC1=CC=C(C=C1)NC(=[NH2+])N>>C(#N)C=1C(=NC(=NC1)NC1=CC=C(C=C1)OCCO)C1=CC=CC=C1 | 5 |
C[O:2][C:3](=[O:27])[C:4]([NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([CH:14]2[C:23]([CH3:25])([CH3:24])[CH2:22][C:21]3[C:16](=[CH:17][CH:18]=[C:19]([Cl:26])[CH:20]=3)[NH:15]2)[CH:9]=1)([CH3:6])[CH3:5].Cl>O1CCCC1.[OH-].[Li+].O>[Cl:26][C:19]1[CH:20]=[C:21]2[C:16](=[CH:17][CH:18]=1)[NH:15][CH:14]([C:10]1[CH:9]=[C:8]([NH:7][C:4]([CH3:6])([CH3:5])[C:3]([OH:27])=[O:2])[CH:13]=[CH:12][CH:11]=1)[C:23]([CH3:25])([CH3:24])[CH2:22]2 | 1 |
[Si]([O:8][C@H:9]1[CH2:13][CH2:12][N:11]([CH2:14][C@@H:15]([N:26](C)[C:27](=O)OC(C)(C)C)[C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=2)[CH2:10]1)(C(C)(C)C)(C)C>ClCCl.FC(F)(F)C(O)=O>[CH3:27][NH:26][C@@H:15]([C:16]1[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:23])[F:24])[CH:17]=1)[CH2:14][N:11]1[CH2:12][CH2:13][C@H:9]([OH:8])[CH2:10]1 | 2 |
[Cl-].[Cl:2][C:3]1[CH:28]=[CH:27][CH:26]=[CH:25][C:4]=1[CH2:5][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[CH3:29][N:30]1[CH:34]=[CH:33][CH:32]=[C:31]1[CH:35]=O.[O-]CC.[Na+]>C1COCC1>[Cl:2][C:3]1[CH:28]=[CH:27][CH:26]=[CH:25][C:4]=1[CH:5]=[CH:35][C:31]1[N:30]([CH3:29])[CH:34]=[CH:33][CH:32]=1 | 2 |
COC(C(C)(C)C1=CC=C(C=C1)Br)=O.Cl.C1(=CC=CC2=CC=CC=C12)[C@@H](C)NCC#C>>Cl.CC(C(=O)OC)(C)C1=CC=C(C=C1)C#CCN[C@H](C)C1=CC=CC2=CC=CC=C12 | 5 |
ClC=1C=CC2=C([C@@H](O[C@H](C=3N2C=CC3)CC(=O)N3CCN(CC3)CC(=O)OCC)C3=C(C(=CC=C3)OC)OC)C1>O.C1CCCO1.CO[H].C([O-])([O-])=O.[K+].[K+]>ClC=1C=CC2=C([C@@H](O[C@H](C=3N2C=CC3)CC(=O)N3CCN(CC3)CC(=O)O)C3=C(C(=CC=C3)OC)OC)C1 | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:29][CH2:30][C:31]2[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=2[F:38])=[C:6]([CH:28]=1)[CH2:7][N:8]1[C:16]2[CH:15]=[CH:14][CH:13]=[C:12]([C:17]([O:19]C)=[O:18])[C:11]=2[C:10](/[CH:21]=[CH:22]/[C:23]([O:25]CC)=[O:24])=[CH:9]1.[OH-].[Na+:40]>CCO>[C:23](/[CH:22]=[CH:21]/[C:10]1[C:11]2[C:12]([C:17]([O-:19])=[O:18])=[CH:13][CH:14]=[CH:15][C:16]=2[N:8]([CH2:7][C:6]2[CH:28]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=2[O:29][CH2:30][C:31]2[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=2[F:38])[CH:9]=1)([O-:25])=[O:24].[Na+:40].[Na+:40] | 2 |
CC1CNCCC1.ClC1=NC=NC(=C1)OCC#CC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C#CC)OC1=NC=NC(=C1)N1CC(CCC1)C | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)O.BrC1=C(CCl)C=C(C=C1)OC>CC(C)(C)[O-].[K+].CN(C(C)=O)C>C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OCC1=C(C=CC(=C1)OC)Br | 3 |
C(C1=CC=CC=C1)OC=1C(=C(C(=CC1)C(F)(F)F)C(C(=O)OC)=O)C=1C=CC2=C(CCCO2)C1>C1CCCO1.[Na+].[BH4-].C(C)(=O)O>C(C1=CC=CC=C1)OC=1C(=C(C(=CC1)C(F)(F)F)C(C(=O)OC)O)C=1C=CC2=C(CCCO2)C1 | 3 |
C1(=CC=C(C=C1)C(=O)Cl)C1=CC=CC=C1.NC1=CC=C(C=CC(=O)O)C=C1>>C1(=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)/C=C/C(=O)O)C1=CC=CC=C1 | 5 |
COC(=O)[C@@]1(C[C@@H]2[C@@H](OC(O2)(C)C)[C@@H](C1)O)O>ClCCl.c1ccncc1.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>COC(=O)C=1C[C@@H]2[C@@H](OC(O2)(C)C)C(C1)=O | 3 |
[N+](=O)([O-])C=1C=C(C=CC1)C=1OC=2C(N1)=C(C=CC2)C(=O)N>CO[H].[HH].[Ni]>NC=1C=C(C=CC1)C=1OC=2C(N1)=C(C=CC2)C(=O)N | 3 |
C1(=CC=CC=C1)C1(CCCCC1)C1=CC=C(OC(=O)C(C(C)C)NC(OC(C)(C)C)=O)C=C1>ClCCl.C(=O)(C(F)(F)F)O>NC(C(=O)OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=CC=C1)C(C)C | 3 |
COC1=CC=C(C=C1)C(C)=O>CC(C)(C)[O-].[K+].[HH].C(C)(C)O>COC1=CC=C(C=C1)[C@@H](C)O | 3 |
O1CC(C=CC1)=O>CS(=O)C.[H-].[Na+].[I-].C[S+](C)C>C12COCC(C2C1)=O | 3 |
[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[C:13]([CH2:14][CH2:15][C:16]([OH:18])=O)=[N:12][N:11]=[N:10]1.[CH3:19][O:20][C:21]1[CH:33]=[CH:32][C:24]([CH2:25][N:26]2[C:30]([NH2:31])=[CH:29][CH:28]=[N:27]2)=[CH:23][CH:22]=1.Cl.CN(C)CCCN=C=NCC>CN(C=O)C.CN(C)C1C=CN=CC=1>[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[C:13]([CH2:14][CH2:15][C:16]([NH:31][C:30]2[N:26]([CH2:25][C:24]3[CH:32]=[CH:33][C:21]([O:20][CH3:19])=[CH:22][CH:23]=3)[N:27]=[CH:28][CH:29]=2)=[O:18])=[N:12][N:11]=[N:10]1 | 2 |
C(OC(=O)[N:7]([CH2:14][CH2:15][O:16][C:17]1[CH:22]=[C:21]([C:23](=[O:35])[N:24]([CH:32]([CH3:34])[CH3:33])[CH2:25][CH2:26][N:27]2[CH:31]=[N:30][CH:29]=[N:28]2)[CH:20]=[C:19]([Cl:36])[CH:18]=1)[C:8]1[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=1)(C)(C)C.[F:38][C:39]([F:44])([F:43])[C:40]([OH:42])=[O:41]>ClCCl>[F:38][C:39]([F:44])([F:43])[C:40]([OH:42])=[O:41].[Cl:36][C:19]1[CH:20]=[C:21]([CH:22]=[C:17]([O:16][CH2:15][CH2:14][NH:7][C:8]2[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=2)[CH:18]=1)[C:23]([N:24]([CH:32]([CH3:33])[CH3:34])[CH2:25][CH2:26][N:27]1[CH:31]=[N:30][CH:29]=[N:28]1)=[O:35] | 1 |
[CH2:1]([O:8][N:9]1[C:18](=[O:19])[C:17]2[CH:20]=[C:21]([C:24]#[N:25])[C:22](Cl)=[C:15]3[C:16]=2[C:11](=[CH:12][CH:13]=[CH:14]3)[C:10]1=[O:26])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:27]([O:31][C:32](=[O:39])[NH:33][C@H:34]1[CH2:38][CH2:37][NH:36][CH2:35]1)([CH3:30])([CH3:29])[CH3:28].C(N(CC)CC)C>C(Cl)(Cl)Cl.CO>[CH2:1]([O:8][N:9]1[C:18](=[O:19])[C:17]2[CH:20]=[C:21]([C:24]#[N:25])[C:22]([N:36]3[CH2:37][CH2:38][C@H:34]([NH:33][C:32](=[O:39])[O:31][C:27]([CH3:29])([CH3:28])[CH3:30])[CH2:35]3)=[C:15]3[C:16]=2[C:11](=[CH:12][CH:13]=[CH:14]3)[C:10]1=[O:26])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C1(=CC=C(C=C1)S(=O)(=O)N1C(=NC=C1)CO)C>O.ClCCl.CCN(CC)CC.CCO[H].CS(=O)(=O)Cl>CS(=O)(=O)OCC=1N(C=CN1)S(=O)(=O)C1=CC=C(C)C=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([C:33]2[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][CH:34]=2)([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[NH:10][S:11]([C:14]2[S:15][C:16]3[CH:22]=[C:21]([O:23][CH2:24][C:25]#[CH:26])[CH:20]=[CH:19][C:17]=3[N:18]=2)(=[O:13])=[O:12])=[CH:5][CH:4]=1.[N:41]([C@@H:44]([CH2:71][C:72]1[CH:77]=[CH:76][C:75]([O:78][CH2:79][CH2:80][O:81][S:82]([C:85]2[CH:91]=[CH:90][C:88]([CH3:89])=[CH:87][CH:86]=2)(=[O:84])=[O:83])=[CH:74][CH:73]=1)[C:45]([N:47]([C@@H:55]([CH2:60][C:61]1[CH:66]=[CH:65][C:64]([C:67]([F:70])([F:69])[F:68])=[CH:63][CH:62]=1)[C:56]([O:58][CH3:59])=[O:57])[C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])=[O:46])=[N+:42]=[N-:43].C(N(C(C)C)CC)(C)C>C1COCC1.[Cu]I>[CH3:40][O:39][C:36]1[CH:35]=[CH:34][C:33]([C:9]([C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[NH:10][S:11]([C:14]2[S:15][C:16]3[CH:22]=[C:21]([O:23][CH2:24][C:25]4[N:43]=[N:42][N:41]([C@@H:44]([CH2:71][C:72]5[CH:73]=[CH:74][C:75]([O:78][CH2:79][CH2:80][O:81][S:82]([C:85]6[CH:91]=[CH:90][C:88]([CH3:89])=[CH:87][CH:86]=6)(=[O:84])=[O:83])=[CH:76][CH:77]=5)[C:45]([N:47]([C@@H:55]([CH2:60][C:61]5[CH:62]=[CH:63][C:64]([C:67]([F:70])([F:69])[F:68])=[CH:65][CH:66]=5)[C:56]([O:58][CH3:59])=[O:57])[C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])=[O:46])[CH:26]=4)[CH:20]=[CH:19][C:17]=3[N:18]=2)(=[O:13])=[O:12])=[CH:38][CH:37]=1 | 1 |
N1(CC2(CC1)CN(C1=CC=CC=C12)C(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C>>BrC=1C=C2C(=CC1)N(CC21CN(CC1)C(=O)OC(C)(C)C)C(=O)OCC[Si](C)(C)C | 5 |
C1(CC1)C1=NN=C(S1)CO>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>BrCC=1SC(=NN1)C1CC1 | 3 |
[C:1]([C:5]1[N:6]=[C:7](Cl)[C:8]2[CH:14]=[C:13]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=3)[C:12]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:28])=[N:11][C:9]=2[N:10]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:30][S:31]([NH2:34])(=[O:33])=[O:32].C([O-])([O-])=O.[Cs+].[Cs+].CN(C=O)C>CCOC(C)=O>[C:1]([C:5]1[N:6]=[C:7]([NH:34][S:31]([CH3:30])(=[O:33])=[O:32])[C:8]2[CH:14]=[C:13]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=3)[C:12]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[Cl:28])=[N:11][C:9]=2[N:10]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
ClC1=CC=C(C=C1)C1(CCC1)C(=O)O.C[C@H]1[C@@H](CNCC1)C(=O)OC>ClCCl.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F>ClC1=CC=C(C=C1)C1(CCC1)C(=O)N1C[C@H]([C@@H](CC1)C)C(=O)OC | 3 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]2[N:17]=[C:16]([NH2:18])[N:15]=[C:14](Cl)[N:13]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[F:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[CH2:27][OH:28].[H-].[Na+]>C(#N)C>[C:1]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12]2[N:17]=[C:16]([NH2:18])[N:15]=[C:14]([O:28][CH2:27][C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=3[F:20])[N:13]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2] | 2 |
C(C)(C)(C)OC(N(C)C)N(C)C.COC1=C(C=CC(=C1)C)[N+](=O)[O-]>>COC=1C=C(C=CC1[N+](=O)[O-])/C=C/N1CCN(CC1)C | 3 |
C[C@@H](N)CC.BrC1C=C(C#N)C(N[C@H](C)CC)=CC=1C(OCC)=[O:10].[C:25]([C:27]1[C:37]([NH:38][C@H:39]([CH3:42])[CH2:40][CH3:41])=[CH:36][C:30]([C:31]([O:33]CC)=[O:32])=[C:29]([CH2:43][CH3:44])[CH:28]=1)#[N:26].C([Mg]Cl)C>>[NH2:26][C:25]([C:27]1[C:37]([NH:38][C@H:39]([CH3:42])[CH2:40][CH3:41])=[CH:36][C:30]([C:31]([OH:33])=[O:32])=[C:29]([CH2:43][CH3:44])[CH:28]=1)=[O:10] | 1 |
BrC=1C=C2C(=CC=NC2=CC1)C1=CC=NC=C1.CS(=O)(=O)C=1C=C(C=NC1)B(O)O>>CS(=O)(=O)C=1C=C(C=NC1)C=1C=C2C(=CC=NC2=CC1)C1=CC=NC=C1 | 5 |
[NH2:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][CH:3]=1.N1C=CC=CC=1.[Cl:19][CH2:20][CH2:21][CH2:22][N:23]=[C:24]=[O:25].O>ClCCl>[Cl:19][CH2:20][CH2:21][CH2:22][NH:23][C:24](=[O:25])[NH:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:11][CH:12]=1 | 1 |
O1CC(C1)=O.C1(=C(C=CC=C1)C1=C(C=NC=C1)N)C>CO[H].[Cl-].[Zn+2].[Cl-].C(#N)[BH3-].[Na+]>O1CC(C1)NC=1C=NC=CC1C1=C(C=CC=C1)C | 3 |
C(C=C)Br.CI.ClC=1C=C(C=CC1F)[C@H]1CCC(N([C@@H]1C1=CC=C(C=C1)Cl)C(C)C)=O>>C(C=C)[C@@]1(C(N([C@@H]([C@H](C1)C1=CC(=C(C=C1)F)Cl)C1=CC=C(C=C1)Cl)C(C)C)=O)C | 5 |
N1(CCC=CC1)C1=NC(=[N+](C(=N1)NC(=O)OCC)[O-])NC(=O)OCC>N(C)(C)C=O>N1(CCC=CC1)C1=NC=2N(C(=N1)NC(=O)OCC)OC(N2)=O | 3 |
[N:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[O:10][CH3:11])=[C:2]=[S:3].[CH:12]1([CH2:15][N:16]2[C:20]3[CH:21]=[CH:22][C:23]([NH:25][CH3:26])=[CH:24][C:19]=3[N:18]=[C:17]2[CH2:27][C:28]2[CH:33]=[CH:32][C:31]([O:34][CH2:35][CH3:36])=[CH:30][CH:29]=2)[CH2:14][CH2:13]1>CN(C=O)C>[CH:12]1([CH2:15][N:16]2[C:20]3[CH:21]=[CH:22][C:23]([N:25]([CH3:26])[C:2]([NH:1][C:4]4[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=4[O:10][CH3:11])=[S:3])=[CH:24][C:19]=3[N:18]=[C:17]2[CH2:27][C:28]2[CH:29]=[CH:30][C:31]([O:34][CH2:35][CH3:36])=[CH:32][CH:33]=2)[CH2:14][CH2:13]1 | 1 |
[F:1][CH:2]([CH2:12][CH2:13][N:14]1[CH:19]=[CH:18][C:17]([NH:20][C:21](=[O:29])[CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[CH:16][C:15]1=[O:30])[CH2:3][N:4]1[CH:8]=[C:7]([C:9]([OH:11])=O)[N:6]=[N:5]1.[F:31][C:32]1[CH:37]=[CH:36][C:35]([O:38][C:39]([F:42])([F:41])[F:40])=[CH:34][C:33]=1[CH2:43][NH2:44].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[F:1][CH:2]([CH2:12][CH2:13][N:14]1[CH:19]=[CH:18][C:17]([NH:20][C:21](=[O:29])[CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[CH:16][C:15]1=[O:30])[CH2:3][N:4]1[CH:8]=[C:7]([C:9]([NH:44][CH2:43][C:33]2[CH:34]=[C:35]([O:38][C:39]([F:40])([F:41])[F:42])[CH:36]=[CH:37][C:32]=2[F:31])=[O:11])[N:6]=[N:5]1 | 2 |
FC=1C=C2C3C=CC(C2=CC1)O3>ClCCl.B(F)(F)F.CCOCC>FC1=CC=C2C=CC=C(C2=C1)O | 3 |
[C:1]([CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:15](Br)[CH2:16]Br.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[C:1]([C:9]1([C:10]([O:12][CH2:13][CH3:14])=[O:11])[CH2:16][CH2:15]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)N1C(=C(C=C1C(NC1=CC(=C(C(=C1)CCCCCCN1C(C2=CC=CC=C2C1=O)=O)OCCCCCCN1C(C2=CC=CC=C2C1=O)=O)CCCCCCN1C(C2=CC=CC=C2C1=O)=O)=O)C=CC(=O)OCC)C#CC(C1=CC=CC=C1)(C1=CC=CC=C1)O>[HH].C(C)(=O)OCC.[Pd]>C(C1=CC=CC=C1)N1C(=C(C=C1C(NC1=CC(=C(C(=C1)CCCCCCN1C(C2=CC=CC=C2C1=O)=O)OCCCCCCN1C(C2=CC=CC=C2C1=O)=O)CCCCCCN1C(C2=CC=CC=C2C1=O)=O)=O)CCC(=O)OCC)C#CC(C1=CC=CC=C1)(C1=CC=CC=C1)O | 3 |
ClC1=C(C=C(C=C1)Cl)CC(=S)O>ClCCl.ClS(Cl)=O>ClC1=C(C=C(C=C1)Cl)CC(=S)Cl | 3 |
[Cl:1][C:2](=[CH2:13])[CH2:3][O:4][C:5]1[CH:12]=[CH:11][C:8]([CH2:9][NH2:10])=[CH:7][CH:6]=1.C1CCC(N=C=NC2CCCCC2)CC1.[C:29](=S)=[S:30]>C(OCC)C>[Cl:1][C:2](=[CH2:13])[CH2:3][O:4][C:5]1[CH:12]=[CH:11][C:8]([CH2:9][N:10]=[C:29]=[S:30])=[CH:7][CH:6]=1 | 1 |
C(C)(C)(C)OC(=O)CN1CCN(CCN(CC1)CC(CC1=CC=C(C=C1)NC1=CC=C(C=2C1=NON2)[N+](=O)[O-])NCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C>>C(=O)(O)CN1CCN(CCN(CC1)CC(CC1=CC=C(C=C1)NC1=CC=C(C=2C1=NON2)[N+](=O)[O-])NCC(=O)O)CC(=O)O | 5 |
C([N:8]1[C@H:12]([C:13]#[CH:14])[CH2:11][C@H:10]([OH:15])[CH2:9]1)(OC(C)(C)C)=O.[F:16][C:17]1[C:18](I)=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21](=[O:26])/[C:20]/2=[CH:27]\[C:28]1[NH:29][CH:30]=[CH:31][C:32]=1[O:33][CH3:34]>CN(C=O)C.CCN(CC)CC.CCOC(C)=O.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>[F:16][C:17]1[C:18]([C:14]#[C:13][C@@H:12]2[CH2:11][C@H:10]([OH:15])[CH2:9][NH:8]2)=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21](=[O:26])/[C:20]/2=[CH:27]\[C:28]1[NH:29][CH:30]=[CH:31][C:32]=1[O:33][CH3:34] | 1 |
I[C:2]1[C:10]([Cl:11])=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([O:12][CH3:13])[CH:3]=1.[F:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].Cl>CN(C)C=O.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[Cl:11][C:10]1[CH:9]=[C:5]([C:6]([OH:8])=[O:7])[C:4]([O:12][CH3:13])=[CH:3][C:2]=1[C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[F:14] | 1 |
C(#N)C=1C=C(C=CC1OC(C)C)C=1SC(=CN1)C=1C(=C(C=CC1)CCC(=O)OCC)CC>>C(C)C1=C(C=CC=C1CCC=O)C1=CN=C(S1)C=1C=CC(=C(C#N)C1)OC(C)C | 5 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N:14]=[C:13]([C:16]3[O:17][C:18]4[CH2:24][CH2:23][CH2:22][CH:21]([N:25]5[CH2:28][CH:27]([C:29]([O:31]CC)=[O:30])[CH2:26]5)[C:19]=4[CH:20]=3)[N:12]=2)=[CH:7][CH:6]=1)[CH:2]([CH3:4])[CH3:3].[OH-].[Na+].C(O)(=O)C(O)=O>>[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N:14]=[C:13]([C:16]3[O:17][C:18]4[CH2:24][CH2:23][CH2:22][CH:21]([N:25]5[CH2:28][CH:27]([C:29]([OH:31])=[O:30])[CH2:26]5)[C:19]=4[CH:20]=3)[N:12]=2)=[CH:7][CH:6]=1)[CH:2]([CH3:4])[CH3:3] | 1 |
[CH3:1][CH:2]([C:16]([O-:18])=[O:17])[C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH:10]2[C:14](=[O:15])[CH2:13][CH2:12][CH2:11]2)=[CH:5][CH:4]=1.[Na+].O.[CH3:21][C:22]1[CH:23]=[CH:24][C:25]([C:28]([CH:30]([CH2:32][N:33]2[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]2)[CH3:31])=[O:29])=[CH:26][CH:27]=1.Cl>CC(O)C>[CH3:1][CH:2]([C:16]([OH:18])=[O:17])[C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH:10]2[C:14](=[O:15])[CH2:13][CH2:12][CH2:11]2)=[CH:5][CH:4]=1.[CH3:21][C:22]1[CH:23]=[CH:24][C:25]([C:28]([CH:30]([CH2:32][N:33]2[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]2)[CH3:31])=[O:29])=[CH:26][CH:27]=1 | 2 |
FC=1C=C(C=CC1OC)C1=NC2=C(N1CCCCCB1OC(C(O1)(C)C)(C)C)C=CC=C2>>FC=1C=C(C=CC1OC)C1=NC2=C(N1CCCCCB(O)O)C=CC=C2 | 5 |
C(C)(C)(C)OC(CC[C@@H]1C(N[C@@H](C(N[C@@H](C(NCC(O[C@@H](CC(N1)=O)\C=C\CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)=O)C(C)C)=O)CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)=O>>C(C)(C)(C)OC(CC[C@H]1NC(C[C@@H]/2OC(CNC([C@H](NC([C@@H](CSSCC\C=C2)NC1=O)=O)C(C)C)=O)=O)=O)=O | 5 |
[OH-].[Na+].CC1C=CC(S([O:13][C:14]2[CH:23]=[CH:22][CH:21]=[C:20]3[C:15]=2[CH:16]=[CH:17][CH:18]=[C:19]3[S:24]([NH2:27])(=[O:26])=[O:25])(=O)=O)=CC=1.Cl>CO>[CH2:16]([NH:27][S:24]([C:19]1[C:20]2[C:15](=[C:14]([OH:13])[CH:23]=[CH:22][CH:21]=2)[CH:16]=[CH:17][CH:18]=1)(=[O:25])=[O:26])[C:15]1[CH:20]=[CH:21][CH:22]=[CH:23][CH:14]=1 | 1 |
[CH:1]1([N:4]2[C:13]3[C:8](=[CH:9][C:10]([F:23])=[C:11]([N:16]4[CH2:21][CH2:20][NH:19][CH:18]([CH3:22])[CH2:17]4)[C:12]=3[O:14][CH3:15])[C:7](=[O:24])[C:6]([C:25]([OH:27])=[O:26])=[CH:5]2)[CH2:3][CH2:2]1.[S:28](=[O:32])(=[O:31])([OH:30])[OH:29]>>[S:28]([O-:32])([O-:31])(=[O:30])=[O:29].[CH3:22][CH:18]1[NH:19][CH2:20][CH2:21][N:16]([C:11]2[C:12]([O:14][CH3:15])=[C:13]3[N:4]([CH:1]4[CH2:3][CH2:2]4)[CH:5]=[C:6]([C:25]([OH:27])=[O:26])[C:7](=[O:24])[C:8]3=[CH:9][C:10]=2[F:23])[CH2:17]1 | 1 |
[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([OH:10])[CH:7]=[CH:6][C:5]=1[NH:11][C:12](=[O:15])[CH2:13][CH3:14].C(=O)([O-])[O-].[K+].[K+].F[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[N+:30]([O-:32])=[O:31].O>CN(C=O)C>[CH3:1][O:2][C:3](=[O:16])[C:4]1[CH:9]=[C:8]([O:10][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[N+:30]([O-:32])=[O:31])[CH:7]=[CH:6][C:5]=1[NH:11][C:12](=[O:15])[CH2:13][CH3:14] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[N:7]=[CH:8][NH:9][C:10](=O)[C:11]=2[N:12]=1.S(Cl)([Cl:16])=O>CN(C)C=O>[Cl:16][C:10]1[C:11]2[N:12]=[C:3]([O:2][CH3:1])[CH:4]=[CH:5][C:6]=2[N:7]=[CH:8][N:9]=1 | 2 |
[CH3:1][S:2]([N:5]([C:10]1[CH:19]=[C:18]([S:20]([CH3:23])(=[O:22])=[O:21])[CH:17]=[CH:16][C:11]=1[C:12]([O:14]C)=[O:13])S(C)(=O)=O)(=[O:4])=[O:3].O.[OH-].[Li+]>CO>[CH3:1][S:2]([NH:5][C:10]1[CH:19]=[C:18]([S:20]([CH3:23])(=[O:22])=[O:21])[CH:17]=[CH:16][C:11]=1[C:12]([OH:14])=[O:13])(=[O:3])=[O:4] | 1 |
[CH:1]1[C:14]2[C:5](=[CH:6][C:7]3[C:12]([C:13]=2[C:15]2[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=2)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.[Br:21]Br.S([O-])([O-])(=O)=S.[Na+].[Na+]>C(Cl)(Cl)(Cl)Cl>[Br:21][C:6]1[C:5]2[C:14](=[CH:1][CH:2]=[CH:3][CH:4]=2)[C:13]([C:15]2[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=2)=[C:12]2[C:7]=1[CH:8]=[CH:9][CH:10]=[CH:11]2 | 1 |
OCC=1C=C(C=CC1)B(O)O.NC=1C=2N(C=CC1Cl)C(=CN2)C(=O)OCC>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>NC=1C=2N(C=CC1C1=CC(=CC=C1)CO)C(=CN2)C(=O)OCC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NCC1=CC2=C(N(C(=N2)CO)CCCCF)C=C1>>C(C)(C)(C)OC(NCC1=CC2=C(N(C(=N2)CO)CCCCF)C=C1)=O | 5 |
O1[C@@H](COCC1)COC1=NN(C2=CC(=CC=C12)NC(OC(C)(C)C)=O)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>O1C(COCC1)COC1=NN(C2=CC(=CC=C12)N)C | 3 |
[NH:1]1[CH2:5][CH2:4][CH:3]([C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])[NH:2]1.C(N(CC)CC)C.[CH2:20]([O:27][C:28](ON1C(=O)CCC1=O)=[O:29])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>ClCCl>[N:1]1([C:28]([O:27][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)=[O:29])[CH2:5][CH2:4][CH:3]([C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7])[NH:2]1 | 1 |
[CH3:1][C:2]1[C:6]([CH3:7])=[C:5]([NH:8][C:9](=[O:16])OCC(Cl)(Cl)Cl)[O:4][N:3]=1.[F:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[C:24]1[CH:29]=[C:28]([N:30]2[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)[N:27]=[CH:26][N:25]=1>C(OCC)(=O)C.CCCCCC>[F:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[C:24]1[N:25]=[CH:26][N:27]=[C:28]([N:30]2[CH2:31][CH2:32][N:33]([C:9]([NH:8][C:5]3[O:4][N:3]=[C:2]([CH3:1])[C:6]=3[CH3:7])=[O:16])[CH2:34][CH2:35]2)[CH:29]=1 | 2 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ClC1=C(C(=CC=C1)NC)N>ClCCl.CCN(CC)CC>ClC1=CC=CC=2N(C(NC21)=O)C | 3 |
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