smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
F[C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6].Cl.[O:19]1[C@H:26]2[C@H:22]([NH:23][CH2:24][CH2:25]2)[C@@H:21]([OH:27])[CH2:20]1.C(N(CC)CC)C>CN(C)C=O>[OH:27][C@@H:21]1[C@H:22]2[N:23]([C:2](=[O:17])[C@@H:3]([NH:9][C:10](=[O:16])[O:11][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:4][C:5]([CH3:8])([CH3:7])[CH3:6])[CH2:24][CH2:25][C@H:26]2[O:19][CH2:20]1 | 1 |
[C:1]([N:4]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[N:5]1[CH2:10][C:9]([CH2:11][O:12]CC2C=CC=CC=2)=[N:8][N:7]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[C:6]1=[O:27])(=[O:3])[CH3:2]>CCO.[Pd]>[C:1]([N:4]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[N:5]1[CH2:10][C:9]([CH2:11][OH:12])=[N:8][N:7]([C:20]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:21])[C:6]1=[O:27])(=[O:3])[CH3:2] | 1 |
[CH:1]1([C:4]2([C:29]#[N:30])[CH2:8][CH2:7][N:6]([C:9]3[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]4[CH:21]=[CH:20][C:19]([N:22]5[CH2:27][CH2:26][O:25][CH2:24][CH2:23]5)=[CH:18][N:17]=4)[CH:10]=3)[C:5]2=[O:28])[CH2:3][CH2:2]1.C(=O)=O.CC(O)C.C(#N)C.C(NCC)C>>[CH:1]1([C@@:4]2([C:29]#[N:30])[CH2:8][CH2:7][N:6]([C:9]3[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]4[CH:21]=[CH:20][C:19]([N:22]5[CH2:23][CH2:24][O:25][CH2:26][CH2:27]5)=[CH:18][N:17]=4)[CH:10]=3)[C:5]2=[O:28])[CH2:3][CH2:2]1 | 2 |
[C:1]1([C:7]([C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[N:8]2[C:12]([CH:13]=[C:14]3[C:20]4[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=4[CH2:18][S:17][C:16]4[CH:25]=[C:26]([C:29](OC)=[O:30])[CH:27]=[CH:28][C:15]3=4)=[N:11][N:10]=[N:9]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].S([O-])([O-])(=O)=O.[Na+].[Na+]>CCOCC.C1COCC1>[OH:30][CH2:29][C:26]1[CH:27]=[CH:28][C:15]2[C:14](=[CH:13][C:12]3[N:8]([C:7]([C:1]4[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=4)([C:39]4[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=4)[C:33]4[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=4)[N:9]=[N:10][N:11]=3)[C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=3[CH2:18][S:17][C:16]=2[CH:25]=1 | 1 |
ClC=1C=C(C(=O)O)C=CC1.NCC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC(=C(C=C1)OC)OC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC=1C=C(C(=O)NCC(=O)N2CCC(CC2)C2=NC(=NO2)C2=CC(=C(C=C2)OC)OC)C=CC1 | 3 |
FC(C)(F)C1=C(O[C@H](C(=O)OC)C)C=CC(=C1)C#C[Si](C)(C)C>C1CCCO1.Cl.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC(C)(F)C1=C(O[C@H](C(=O)OC)C)C=CC(=C1)C#C | 3 |
C(#N)C1=CC(=C(C(=O)NOCCC(=O)O)C=C1)NC1=C(C=C(C=C1)I)F>ClS(Cl)=O.O1CCOCC1>FC1=C(C=CC(=C1)I)NC=1C=C(C#N)C=CC1C(=O)N1OCCC1=O | 3 |
C(OCC[Si](C)(C)C)Cl.N1C=C(C=C1)C(=O)OC>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>C[Si](CCOCN1C=C(C=C1)C(=O)OC)(C)C | 3 |
[C:1]([C:9]1[C:10]([NH:16]C(=O)C(C)(C)C)=[N:11][CH:12]=[CH:13][C:14]=1[Cl:15])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[OH-].[Na+]>>[NH2:16][C:10]1[C:9]([C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[O:8])=[C:14]([Cl:15])[CH:13]=[CH:12][N:11]=1 | 2 |
BrCC=C.C(=C\C=C)/C1(CCN(CC1)C1=C(C(=NC=2N1N=C(C2)C=2C=C(C=CC2)C2=C(C=CC(=C2)Cl)O)C)[C@@H](C(=O)OC)OC(C)(C)C)C>>C(C=C)OC1=C(C=C(C=C1)Cl)C1=CC(=CC=C1)C1=NN2C(N=C(C(=C2N2CCC(CC2)(C)\C=C\C=C)[C@@H](C(=O)OC)OC(C)(C)C)C)=C1 | 5 |
[N:1]1([CH:6]2[CH2:11][CH2:10][N:9](C(OC(C)(C)C)=O)[CH2:8][CH2:7]2)[CH:5]=[CH:4][N:3]=[CH:2]1.Cl>>[N:1]1([CH:6]2[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]2)[CH:5]=[CH:4][N:3]=[CH:2]1 | 2 |
C(C)I.CC1(C=2C=CC(=CC2C(CC1)(C)C)NC1=NC=C(C(=O)OC)C=C1)C>N(C)(C)C=O.O.[H-].[Na+]>C(C)N(C1=NC=C(C(=O)OC)C=C1)C1=CC=2C(CCC(C2C=C1)(C)C)(C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[N:22](COCC[Si](C)(C)C)[C:21]([O:31][C@H:32]3[C@H:36]4[O:37][CH2:38][CH:39]([CH2:40][C:41]([CH3:44])([OH:43])[CH3:42])[C@H:35]4[O:34][CH2:33]3)=[N:20][C:5]2=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[CH:10][CH:9]=1>C(O)(C(F)(F)F)=O.C(Cl)Cl.CCO>[Cl:1][C:2]1[CH:3]=[C:4]2[NH:22][C:21]([O:31][C@H:32]3[C@H:36]4[O:37][CH2:38][CH:39]([CH2:40][C:41]([CH3:44])([OH:43])[CH3:42])[C@H:35]4[O:34][CH2:33]3)=[N:20][C:5]2=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)=[CH:10][CH:9]=1 | 1 |
[CH2:1]=O.[BH3-][C:4]#[N:5].[Na+].N[CH:8]1[CH2:12][CH2:11][N:10]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][NH:22][C:23]([C:25]3[CH:30]=[CH:29][C:28]([C:31]4[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=4)=[CH:27][CH:26]=3)=[O:24])=[CH:16][CH:15]=2)[CH2:9]1.[OH-].[Na+]>C(O)(=O)C.C(#N)C.CCOC(C)=O>[CH3:1][N:5]([CH3:4])[CH:8]1[CH2:12][CH2:11][N:10]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][NH:22][C:23]([C:25]3[CH:30]=[CH:29][C:28]([C:31]4[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=4)=[CH:27][CH:26]=3)=[O:24])=[CH:16][CH:15]=2)[CH2:9]1 | 2 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([C:15]2[N:19]=[C:18]([C:20]3[N:25]=[C:24]([C:26]([O:28]C)=[O:27])[CH:23]=[CH:22][CH:21]=3)[O:17][N:16]=2)=[O:14])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>CC(O)=O.CCOC(C)=O>[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([C:15]2[N:19]=[C:18]([C:20]3[N:25]=[C:24]([C:26]([OH:28])=[O:27])[CH:23]=[CH:22][CH:21]=3)[O:17][N:16]=2)=[O:14])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[N:9]=[C:10]=[O:11].[O:12]1[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:23]=[C:24]([CH:26]=[CH:27][CH:28]=2)[NH2:25])[CH2:14][CH2:13]1>C(Cl)(Cl)Cl>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10]([NH:25][C:24]1[CH:26]=[CH:27][CH:28]=[C:22]([O:21][CH2:20][CH2:19][CH2:18][N:15]2[CH2:14][CH2:13][O:12][CH2:17][CH2:16]2)[CH:23]=1)=[O:11] | 2 |
FC(C1=CC=C(C=C1)C1=CN=CO1)(F)F>>ClC=1OC(=CN1)C1=CC=C(C=C1)C(F)(F)F | 5 |
[OH-].[Na+].BrBr.Br[O-].[C:7]([C:10]12[CH2:17][CH:16]3[CH2:18][C:12]([N:19]4[CH2:23][CH2:22][CH2:21][C:20]4=[O:24])([CH2:13][CH:14]1[CH2:15]3)[CH2:11]2)(=[O:9])C.C(O)(=[O:27])C>O1CCOCC1.O>[O:24]=[C:20]1[CH2:21][CH2:22][CH2:23][N:19]1[C:12]12[CH2:18][CH:16]3[CH2:15][CH:14]([CH2:13]1)[C:10]([C:7]([OH:9])=[O:27])([CH2:17]3)[CH2:11]2 | 1 |
[F:1][C:2]([F:9])([F:8])[CH2:3][CH2:4][CH2:5][CH2:6][OH:7]>ClCCl>[F:1][C:2]([F:9])([F:8])[CH2:3][CH2:4][CH2:5][CH:6]=[O:7] | 1 |
[CH3:1][O:2][CH2:3][CH2:4][N:5]1C(=S)[N:8]=[N:7][NH:6]1.S([O:16][CH3:17])(OC)(=O)=O.[OH-].[K+].Cl.[CH2:21](Cl)Cl>CCOCC>[CH3:1][O:2][CH2:3][CH2:4][N+:5]1[C:17]([O-:16])=[N:8][N:7]([CH3:21])[N:6]=1 | 2 |
FC1C=C(CN)C=NC=1.[O:10]1[CH:14]=[C:13]([CH2:15][NH2:16])[N:12]=[CH:11]1.[F:17][C:18]1[CH:39]=[CH:38][C:21]([CH2:22][N:23]2[CH2:27][CH2:26][N:25]([C:28]3[S:29][C:30]([C:34](O)=[O:35])=[C:31]([CH3:33])[N:32]=3)[C:24]2=[O:37])=[CH:20][CH:19]=1>>[F:17][C:18]1[CH:39]=[CH:38][C:21]([CH2:22][N:23]2[CH2:27][CH2:26][N:25]([C:28]3[S:29][C:30]([C:34]([NH:16][CH2:15][C:13]4[N:12]=[CH:11][O:10][CH:14]=4)=[O:35])=[C:31]([CH3:33])[N:32]=3)[C:24]2=[O:37])=[CH:20][CH:19]=1 | 1 |
Br[C:2]1[CH:3]=[C:4]([S:16]([NH2:19])(=[O:18])=[O:17])[CH:5]=[N:6][C:7]=1[NH:8][CH2:9][CH:10]1[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1.[CH2:20]([O:22]/[CH:23]=[CH:24]/B1OC(C)(C)C(C)(C)O1)[CH3:21].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>CC#N.O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH2:23]([O:22]/[CH:20]=[CH:21]/[C:2]1[CH:3]=[C:4]([S:16]([NH2:19])(=[O:18])=[O:17])[CH:5]=[N:6][C:7]=1[NH:8][CH2:9][CH:10]1[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1)[CH3:24] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:12]=[CH:11][C:10]([CH2:13][OH:14])=[CH:9][CH:8]=2)[CH:2]=1.C[N+]1([O-])CCOCC1>[Ru]([O-])(=O)(=O)=O.C([N+](CCC)(CCC)CCC)CC>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:12]=[CH:11][C:10]([CH:13]=[O:14])=[CH:9][CH:8]=2)[CH:2]=1 | 1 |
[Br:1]C1C2C(=CC=CC=2)NN=1.[Cl-].[NH4+:12].CCN(C(C)C)[CH:16]([CH3:18])[CH3:17].CN(C(ON1N=[N:37][C:32]2[CH:33]=[CH:34][CH:35]=[N:36][C:31]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[Li+].[OH-:47]>CN(C=O)C.O>[Br:1][C:31]1[CH:17]=[CH:16][CH:18]=[C:33]2[C:32]=1[NH:37][N:12]=[C:34]2[C:35]([NH2:36])=[O:47] | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC=1C(=NC(=NC1)C#N)C1=CC=CC=C1>CO[H].[HH].[Al].[Ni]>NC=1C(=NC(=NC1)CNC(OC(C)(C)C)=O)C1=CC=CC=C1 | 3 |
C[O:2][C:3](=[O:33])[CH2:4][CH2:5][C:6]1[C:11]([O:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=2)=[CH:10][CH:9]=[C:8]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][OH:32])[N:7]=1.[OH-].[Na+]>CO>[OH:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][C:8]1[N:7]=[C:6]([CH2:5][CH2:4][C:3]([OH:33])=[O:2])[C:11]([O:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C:19]2[CH:20]=[CH:21][C:22]([O:25][CH3:26])=[CH:23][CH:24]=2)=[CH:10][CH:9]=1 | 1 |
[P:1]([O:13][CH2:14][C@@H:15]1[CH2:19][CH2:18][CH2:17][N:16]1[CH2:20][CH2:21][CH2:22][O:23][C:24]1[CH:33]=[C:32]2[C:27]([C:28]([NH:34][C:35]3[S:36][C:37]([CH2:40][C:41]([NH:43][C:44]4[CH:49]=[CH:48][CH:47]=[C:46]([F:50])[C:45]=4[F:51])=[O:42])=[CH:38][N:39]=3)=[N:29][CH:30]=[N:31]2)=[CH:26][C:25]=1[O:52][CH3:53])([O:8]C(C)(C)C)([O:3]C(C)(C)C)=[O:2].C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>>[P:1]([OH:3])([OH:8])([O:13][CH2:14][C@@H:15]1[CH2:19][CH2:18][CH2:17][N:16]1[CH2:20][CH2:21][CH2:22][O:23][C:24]1[CH:33]=[C:32]2[C:27]([C:28]([NH:34][C:35]3[S:36][C:37]([CH2:40][C:41]([NH:43][C:44]4[CH:49]=[CH:48][CH:47]=[C:46]([F:50])[C:45]=4[F:51])=[O:42])=[CH:38][N:39]=3)=[N:29][CH:30]=[N:31]2)=[CH:26][C:25]=1[O:52][CH3:53])=[O:2] | 1 |
C1(=CC=CC=C1)S(=O)(=O)Cl.C(=O)C1=C(NC2=CC(=CC(=C12)Cl)Cl)C(=O)OCC>N(C)(C)C=O.O.[H-].[Na+]>C1(=CC=CC=C1)S(=O)(=O)N1C(=C(C2=C(C=C(C=C12)Cl)Cl)C=O)C(=O)OCC | 3 |
FC1=CC=C(C(=O)Cl)C=C1>CCO[H]>FC1=CC=C(C(=O)OCC)C=C1 | 3 |
[F:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[C:4]([F:10])[C:3]=1[CH:11]=[N:12][C:13]1[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[C:15]([O:21][CH3:22])[CH:14]=1.[N+:23]([CH:25](S(C1C=CC(C)=CC=1)(=O)=O)[CH3:26])#[C-:24].CC(C)([O-])C.[K+]>O1CCCC1>[F:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[C:4]([F:10])[C:3]=1[C:11]1[N:12]([C:13]2[CH:18]=[C:17]([O:19][CH3:20])[CH:16]=[C:15]([O:21][CH3:22])[CH:14]=2)[CH:24]=[N:23][C:25]=1[CH3:26] | 2 |
[CH3:1][O:2][CH:3]([C:7]1[CH:12]=[CH:11][C:10]([N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[CH:9][CH:8]=1)[C:4]([OH:6])=O.[CH3:19][O:20][C:21]1[CH:22]=[C:23]([C:29]2[CH:33]=[CH:32][NH:31][N:30]=2)[CH:24]=[CH:25][C:26]=1[O:27][CH3:28].C(N(C(C)C)CC)(C)C.F[P-](F)(F)(F)(F)F.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.C([O-])(O)=O.[Na+]>CN(C=O)C>[CH3:19][O:20][C:21]1[CH:22]=[C:23]([C:29]2[CH:33]=[CH:32][N:31]([C:4](=[O:6])[CH:3]([O:2][CH3:1])[C:7]3[CH:12]=[CH:11][C:10]([N:13]4[CH2:18][CH2:17][O:16][CH2:15][CH2:14]4)=[CH:9][CH:8]=3)[N:30]=2)[CH:24]=[CH:25][C:26]=1[O:27][CH3:28] | 1 |
N(C(OCC)=O)=NC(OCC)=[O:4].[Cl:13][C:14]1[CH:15]=[CH:16][C:17]2[N:18]([CH3:35])[C:19](=[O:34])[C:20]3[CH:30]=[C:29]([CH2:31][CH2:32][OH:33])[CH:28]=[N:27][C:21]=3[N:22]([CH2:25][CH3:26])[C:23]=2[N:24]=1.O[C:37]1[CH:46]=[CH:45][CH:44]=[C:43]2[C:38]=1[CH:39]=[CH:40][CH:41]=[N:42]2.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=C(Cl)C=C(C(OO)=O)C=1>C1COCC1>[Cl:13][C:14]1[CH:15]=[CH:16][C:17]2[N:18]([CH3:35])[C:19](=[O:34])[C:20]3[CH:30]=[C:29]([CH2:31][CH2:32][O:33][C:37]4[CH:46]=[CH:45][CH:44]=[C:43]5[C:38]=4[CH:39]=[CH:40][CH:41]=[N+:42]5[O-:4])[CH:28]=[N:27][C:21]=3[N:22]([CH2:25][CH3:26])[C:23]=2[N:24]=1 | 1 |
O1CCCC=C1.ClC1=C(C=CC(=C1)F)CC(=O)C1=C(C=C(C=C1)O)O>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>ClC1=C(C=CC(=C1)F)CC(=O)C1=C(C=C(C=C1)OC1OCCCC1)O | 3 |
[Si](C)(C)(C(C)(C)C)OCC=1N=C(SC1COC)N1CCOCC1>>COCC1=C(N=C(S1)N1CCOCC1)CO | 5 |
ClC(=O)OC1=CC=CC=C1.NC1=C(C=C(C=C1C(C)C)O)C(C)C>ClCCl.CN(C1=CC=CC=C1)C>C(C)(C)C1=C(C(=CC(=C1)O)C(C)C)NC(OC1=CC=CC=C1)=O | 3 |
[CH2:1]([N:3]1[C:7]2=[N:8][CH:9]=[C:10]([C:13](=O)[C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=3)[C:11]([OH:12])=[C:6]2[CH:5]=[N:4]1)[CH3:2].Cl.[NH2:23]O>N1C=CC=CC=1>[CH2:1]([N:3]1[C:7]2=[N:8][CH:9]=[C:10]3[C:13]([C:14]4[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=4)=[N:23][O:12][C:11]3=[C:6]2[CH:5]=[N:4]1)[CH3:2] | 1 |
[N:1]([C:4]1[CH:13]=[CH:12][CH:11]=[CH:10][C:5]=1[C:6]([O:8]C)=O)=[C:2]=[O:3].C(O)C(N)(CO)CO.[NH2:22][C:23]1[CH:24]=[C:25]([S:30]([N:33]([CH3:40])[C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)(=[O:32])=[O:31])[CH:26]=[CH:27][C:28]=1[Cl:29]>CN(C1C=CN=CC=1)C>[Cl:29][C:28]1[CH:27]=[CH:26][C:25]([S:30]([N:33]([CH3:40])[C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)(=[O:32])=[O:31])=[CH:24][C:23]=1[N:22]1[C:6](=[O:8])[C:5]2[C:4](=[CH:13][CH:12]=[CH:11][CH:10]=2)[NH:1][C:2]1=[O:3] | 2 |
ClC1=NC=CC(=N1)N1C(OC[C@@H]1C(C)C)=O.NC(C)C1=NC=C(C=N1)N(C1=CC=C(C=C1)[N+](=O)[O-])C>CS(=O)C>C(C)(C)[C@@H]1N(C(OC1)=O)C1=NC(=NC=C1)NC(C)C1=NC=C(C=N1)N(C1=CC=C(C=C1)[N+](=O)[O-])C | 3 |
N1CCNCC1.Cl.FC1=C2C=CC(=NC2=CC(=C1)F)C>C([O-])([O-])=O.[K+].[K+].CS(=O)C>CC1=NC2=CC(=CC(=C2C=C1)N1CCNCC1)F | 3 |
FC1=CC=CC(=C1)[N+](=O)[O-].OC1=CC2=C(N=C(S2)NC(=O)C2CC2)C=C1>>[N+](=O)([O-])C=1C=C(OC2=CC3=C(N=C(S3)NC(=O)C3CC3)C=C2)C=CC1 | 5 |
C(C1=CC=CC=C1)OC([C@@H](NC(CCC)C(=O)OCC)C)=O>CCO[H].[HH].[Pd]>CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)O | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)O.N1(CCCCC1)CCCO>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>[N+](=O)([O-])C1=CC=C(OCCCN2CCCCC2)C=C1 | 3 |
C1(CCCC1)SCC=1C=CC(=NC1)C#N>>NCC1=NC=C(C=C1)CSC1CCCC1 | 5 |
C(OC)(OC)OC.C(C1=CC=CC=C1)OC=1C=C(C=CC1)C1CC(CCC1)=O>C(Cl)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC=1C=C(C=CC1)C1CC(CCC1)(OC)OC | 3 |
FC=1C=C(C=CC1)C1=C2C(=C3C(CCCN13)=O)N(C(N(C2=O)C)=O)C>CO[H].[Na+].[BH4-]>FC=1C=C(C=CC1)C1=C2C(=C3C(CCCN13)O)N(C(N(C2=O)C)=O)C | 3 |
[Cl:1][C:2]1[CH:18]=[CH:17][C:5]([C:6]([NH:8][C:9]2([CH2:15][OH:16])[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]2)=O)=[CH:4][N:3]=1.S(Cl)(Cl)=O.C(=O)([O-])[O-].[K+].[K+]>C(Cl)(Cl)Cl>[Cl:1][C:2]1[N:3]=[CH:4][C:5]([C:6]2[O:16][CH2:15][C:9]3([CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]3)[N:8]=2)=[CH:17][CH:18]=1 | 1 |
CI.BrC=1C(=C(C(=O)O)C(=CC1)Cl)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C(=C(C(=O)OC)C(=CC1)Cl)C | 3 |
C(C#C)Br.CC1(COC2(N1)CCCCC2)CO>>CC1(COC2(N1)CCCCC2)COCC#C | 5 |
[OH-].[Na+].[CH:3]1([C:9]2[O:14][C:13]3[C:15]([C:18]([O:20]C)=[O:19])=[CH:16][S:17][C:12]=3[C:11](=[O:22])[CH:10]=2)[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.Cl>CO.O1CCOCC1.O>[CH:3]1([C:9]2([C:3]3[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=3)[O:14][C:13]3[C:15]([C:18]([OH:20])=[O:19])=[CH:16][S:17][C:12]=3[C:11](=[O:22])[CH2:10]2)[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1 | 1 |
BrC1=CC(=C(C=C1)C(C(C)(C)C1=NC(=CC=C1Br)OC)=O)OCOC>C1CCCO1.Cl>BrC1=CC(=C(C=C1)C(C(C)(C)C1=NC(=CC=C1Br)OC)=O)O | 3 |
C(C)I.N1C(CC(C2=CC=CC=C12)=O)=O>[H-].[Na+].CN(C(C)=O)C>C(C)OC1=CC(NC2=CC=CC=C12)=O | 3 |
N1[C@H](C(=O)N)CCC1.C(#N)C=1C=C(C=CC1OCC1CCN(CC1)CC(CC)(F)CC)C1=CC=C(C=C1)C(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(#N)C=1C=C(C=CC1OCC1CCN(CC1)CC(CC)(F)CC)C=1C(=CC=CC1)C(=O)N1[C@@H](CCC1)C(=O)N | 3 |
[CH:1]1([OH:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[H-].[Na+].[Cl:10][C:11]1[N:16]=[C:15]([C:17]([O:19][CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]2)=[O:18])[CH:14]=[C:13](Cl)[N:12]=1>C1COCC1>[Cl:10][C:11]1[N:16]=[C:15]([C:17]([O:19][CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]2)=[O:18])[CH:14]=[C:13]([O:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[N:12]=1 | 1 |
Cl.C(C)(C)(C)OC(CN)=O.OC1=C(C(N2C3=C(C=CC=C13)SCC2C2=CC=C(C=C2)C(F)(F)F)=O)C(=O)OCC>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC>OC1=C(C(N2C3=C(C=CC=C13)SCC2C2=CC=C(C=C2)C(F)(F)F)=O)C(=O)NCC(=O)OC(C)(C)C | 3 |
ClC=1C=CC(=C(OCC=2C=C(C#N)C=CC2)C1)C1=NC2=C(N1CC1CCCCC1)C=C(C(=C2)F)F>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>ClC1=CC(=C(C=C1)C1=NC2=C(N1CC1CCCCC1)C=C(C(=C2)F)F)OCC2=CC(=CC=C2)C2=NN=NN2 | 3 |
CC1CNCC(O1)C.FC=1C=C(C=CC1F)C1=NNC(OC1)=O>C(C)(C)N(C(C)C)CC>CC1CN(CC(O1)C)C1=C(C=C(C=C1)C1=NNC(OC1)=O)F | 3 |
Br[C:2]1[CH:11]=[C:10]([O:12][CH3:13])[CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][C:6](=[O:22])[N:7]2[C:14]1[C:19]([Cl:20])=[CH:18][CH:17]=[CH:16][C:15]=1[Cl:21].[F:23][C:24]1[CH:29]=[C:28]([F:30])[CH:27]=[CH:26][C:25]=1B(O)O.C([O-])([O-])=O.[Na+].[Na+]>C1(C)C=CC=CC=1.CCO.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>[Cl:21][C:15]1[CH:16]=[CH:17][CH:18]=[C:19]([Cl:20])[C:14]=1[N:7]1[C:8]2[C:3](=[C:2]([C:27]3[CH:26]=[CH:25][C:24]([F:23])=[CH:29][C:28]=3[F:30])[CH:11]=[C:10]([O:12][CH3:13])[CH:9]=2)[CH2:4][CH2:5][C:6]1=[O:22] | 1 |
CS(=O)(=O)Cl.ClC1=CC=C(C=C1)C1=CC=2N=CN(C(C2S1)=O)[C@@H]1CC2=CC=C(C=C2CC1)CO>ClCCl.CCN(CC)CC>ClC1=CC=C(C=C1)C1=CC=2N=CN(C(C2S1)=O)[C@@H]1CC2=CC=C(C=C2CC1)CS(=O)(=O)C | 3 |
C(C)(=O)O[C@@H]1[C@H](O[C@H](C1)N1C=C(C2=C1N=CN=C2CCC2=CC=CC=C2)C#C[Si](C)(C)C)COS(=O)(=O)N>CO[H].ClCCl.C([O-])([O-])=O.[K+].[K+]>S(N)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C2=C1N=CN=C2CCC2=CC=CC=C2)C#C)(=O)=O | 3 |
C(C=C)Cl.C(#C)C1(CC2(CCCC2)CCC1)O>CO[H].O(C(C)(C)C)C.C([O-])([O-])=O.[K+].[K+].C(C)(C)O.[OH-].[K+].Cl[Cu]>C(#CCC=C)C1(CC2(CCCC2)CCC1)O | 3 |
C([O:8][C@@H:9]([CH3:12])[CH2:10][OH:11])C1C=CC=CC=1.[Cl:13][C:14]1[CH:38]=[N:37][C:17]2[NH:18][C:19]3[C:24](Cl)=[N:23][CH:22]=[C:21]([C:26]4[CH:31]=[CH:30][CH:29]=[C:28]([S:32]([CH2:35][CH3:36])(=[O:34])=[O:33])[CH:27]=4)[C:20]=3[C:16]=2[CH:15]=1>CO.[Pd]>[Cl:13][C:14]1[CH:38]=[N:37][C:17]2[NH:18][C:19]3[C:24]([O:11][CH2:10][C@H:9]([OH:8])[CH3:12])=[N:23][CH:22]=[C:21]([C:26]4[CH:31]=[CH:30][CH:29]=[C:28]([S:32]([CH2:35][CH3:36])(=[O:34])=[O:33])[CH:27]=4)[C:20]=3[C:16]=2[CH:15]=1 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[C:17]([NH:20][CH2:21][C:22](O)=[O:23])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:25]#[N:26])[CH:5]=[CH:6][C:7]=1[F:8].[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.[N:36]1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[C:17]([NH:20][CH2:21][C:22]([NH2:36])=[O:23])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:25]#[N:26])[CH:5]=[CH:6][C:7]=1[F:8] | 2 |
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[C:9]([C@@H:10]3[CH2:15][CH2:14][N:13](C(OC(C)(C)C)=O)[CH2:12][C@H:11]3[C:23]3[CH:28]=[CH:27][C:26]([C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=4[CH2:35][CH2:36][CH2:37][O:38][CH3:39])=[CH:25][C:24]=3[Cl:40])[C:4]=2[N:3]=[CH:2]1.C(Cl)Cl>CO>[Cl:40][C:24]1[CH:25]=[C:26]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=2[CH2:35][CH2:36][CH2:37][O:38][CH3:39])[CH:27]=[CH:28][C:23]=1[C@H:11]1[C@H:10]([C:9]2[C:4]3[N:3]=[CH:2][NH:1][C:5]=3[CH:6]=[CH:7][CH:8]=2)[CH2:15][CH2:14][NH:13][CH2:12]1 | 2 |
[NH2:1][C:2]1[C:17]([Br:18])=[CH:16][C:5]2[C:6]([C:12](=[O:15])[NH:13][CH3:14])=[C:7](B(O)O)[O:8][C:4]=2[CH:3]=1.Br[C:20]1[CH:21]=[CH:22][C:23]([F:26])=[N:24][CH:25]=1>O1CCOCC1.O.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.Cl[Pd]Cl.[Fe+2]>[NH2:1][C:2]1[C:17]([Br:18])=[CH:16][C:5]2[C:6]([C:12]([NH:13][CH3:14])=[O:15])=[C:7]([C:20]3[CH:25]=[N:24][C:23]([F:26])=[CH:22][CH:21]=3)[O:8][C:4]=2[CH:3]=1 | 1 |
C(C)OC(OCC)OCC.NC1=NC=CC=C1.NC1=CC=C(C(=C1C(=O)O)F)C>>FC1=C2C(N(C=NC2=CC=C1C)C1=NC=CC=C1)=O | 3 |
[C:1]([O:5][C:6]([NH:8][CH:9]([CH2:20][OH:21])[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].S([O-])([O-])(=O)=O.[Na+].[Na+].[F:29][C:30]([F:38])(S(F)(=O)=O)C(O)=O>C(#N)C.C(OCC)C.[Cu]I>[CH2:13]([O:12][C:10](=[O:11])[C@@H:9]([NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:20][O:21][CH:30]([F:38])[F:29])[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:7](=[O:27])[N:8]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=2)[C:9]2[C:14]([C:15]=1[OH:16])=[CH:13][C:12]([Cl:17])=[CH:11][CH:10]=2)=[O:5])[CH3:2].C(N(C(C)C)CC)(C)C.[F:37][C:38]([S:41](O)(=[O:43])=[O:42])([F:40])[F:39]>CN(C1C=CN=CC=1)C.C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[C:7](=[O:27])[N:8]([CH2:18][C:19]2[CH:20]=[CH:21][C:22]([O:25][CH3:26])=[CH:23][CH:24]=2)[C:9]2[C:14]([C:15]=1[O:16][S:41]([C:38]([F:40])([F:39])[F:37])(=[O:43])=[O:42])=[CH:13][C:12]([Cl:17])=[CH:11][CH:10]=2)=[O:5])[CH3:2] | 1 |
O[CH2:2][C:3]1[N:7]([C:8]2[CH:9]=[C:10]([CH:14]=[C:15]([C:17]([F:20])([F:19])[F:18])[CH:16]=2)[C:11]([NH2:13])=[O:12])[N:6]=[N:5][N:4]=1.S(Cl)([Cl:23])=O>C1(C)C=CC=CC=1>[Cl:23][CH2:2][C:3]1[N:7]([C:8]2[CH:9]=[C:10]([CH:14]=[C:15]([C:17]([F:20])([F:19])[F:18])[CH:16]=2)[C:11]([NH2:13])=[O:12])[N:6]=[N:5][N:4]=1 | 1 |
[OH:1][CH2:2][CH2:3][NH:4][S:5]([C:8]1[CH:17]=[CH:16][CH:15]=[C:14]([N+:18]([O-:20])=[O:19])[C:9]=1[C:10]([O:12]C)=O)(=[O:7])=[O:6].[CH3:21][NH:22][CH3:23].CC(C)([O-])C.[K+]>C(O)(C)(C)C>[CH3:21][N:22]([CH3:23])[C:10](=[O:12])[C:9]1[C:14]([N+:18]([O-:20])=[O:19])=[CH:15][CH:16]=[CH:17][C:8]=1[S:5]([NH:4][CH2:3][CH2:2][OH:1])(=[O:6])=[O:7] | 1 |
CN1C(CCCC1)=O>Cl>CNCCCCC(=O)O | 3 |
BrC1=CC2=C(S(CC2)(=O)=O)C=C1F.CC(C)NC(=O)O[C@H]1C[C@H](CC1)C1=NNC(=C1)N>O.O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)NC(O[C@H]1C[C@H](CC1)C1=CC(=NN1)NC1=CC2=C(S(CC2)(=O)=O)C=C1F)=O | 3 |
FC(C=1C=C(C=CC1)N1C[C@@H]2[C@H](C1)[C@H](CC2)NC(OC(C)(C)C)=O)(F)F>Cl.O1CCOCC1>FC(C=1C=C(C=CC1)N1C[C@@H]2[C@H](C1)[C@H](CC2)N)(F)F | 3 |
C(C)(C)(C)OC(=O)N[C@H](CCCOC1=NC=CC(=C1)N(C(OC(C)(C)C)=O)C1=CC(=NN1C(C)(C)C)[C@@H]1C[C@@H](CC1)O[Si](C)(C)C(C)(C)C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)OC(=O)N[C@H](CCCOC1=NC=CC(=C1)N(C(OC(C)(C)C)=O)C1=CC(=NN1C(C)(C)C)[C@@H]1C[C@@H](CC1)O)C | 3 |
FC(COCCCCCCN1C(O[C@@H](C1)C1=CC2=C(OC(OC2)(C)C)C=C1)=O)(C1=CC=CC=C1)F>C1CCCO1.C[Si]([O-])(C)C.[K+]>FC(COCCCCCCNC[C@H](O)C1=CC2=C(OC(OC2)(C)C)C=C1)(C1=CC=CC=C1)F | 3 |
[OH:1][N:2]1[C:6](=[O:7])[CH2:5][CH2:4][C:3]1=[O:8].C1CCC(N=C=NC2CCCCC2)CC1.[C:24](OCC)(=[O:26])C>>[CH2:5]1[C:6](=[O:7])[N:2]([O:1][CH:24]=[O:26])[C:3](=[O:8])[CH2:4]1 | 2 |
BrC=1N=C2N(C=CC(=C2)C)C1>>BrC=1N=C2N(C=CC(=C2)C)C1I | 5 |
ClC1=CC=C(C=N1)COC1=C(C=C(CNCCC2=CC(=C(C=C2)OC)OC)C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O>O1CCOCC1.[I-].[Na+].C(C)(C)N(C(C)C)CC>ClC1=CC=C(C=N1)COC1=C(C=C(C=C1)CN(CCCCCCCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)CCC1=CC(=C(C=C1)OC)OC)OC | 3 |
C(#C)C1=C(C=CC=C1)OC.COC(C1=C(C=CC(=C1)I)OC(C)C)=O>>COC(C1=C(C=CC(=C1)C#CC1=C(C=CC=C1)OC)OC(C)C)=O | 5 |
C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)C=1C=NN2C1N=CC(=C2N)C2=CC=C(C=C2)NC(=O)OCC(C)C>>C(C(C)C)OC(NC1=CC=C(C=C1)C=1C=NC=2N(C1N)N=CC2C2=CC=C(C=C2)N2CCNCC2)=O | 5 |
N12C[C@@H](C(CC1)CC2)O.C(C)(C)(C)OC(=O)NC(C(=O)O)C1=CC=C(C=C1)OC>>C(C)(C)(C)OC(=O)NC(C(=O)O[C@H]1CN2CCC1CC2)C2=CC=C(C=C2)OC | 5 |
FC(C1=NN(C=C1[N+](=O)[O-])C1CCC(CC1)COCC(=O)OCC)F>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC(C1=NN(C=C1[N+](=O)[O-])C1CCC(CC1)COCCO)F | 3 |
ClC=1N=NC(=CC1)Cl.CC1=C(OCC(CNC(CN)(C)C)O)C=CC=C1>C1=CC=CC=C1>CC1=C(OCC(CNC(CNC2=CC=C(N=N2)Cl)(C)C)O)C=CC=C1 | 3 |
O.O.O.O.O.O.Cl[Fe](Cl)Cl.[N+](=O)([O-])C=1C=C(C(=O)OCCCCCCCCOC2=CC=C(C=C2)\C=C(\C2=CC=C(C=C2)F)/C#N)C=C(C1)[N+](=O)[O-]>>NC=1C=C(C(=O)OCCCCCCCCOC2=CC=C(C=C2)\C=C(\C2=CC=C(C=C2)F)/C#N)C=C(C1)N | 5 |
BrCC1CCOCC1.N=1C=NN2C1C=CC(=C2)C2=C(NC(N2C=2C=C(C=CC2)C)=O)C>>N=1C=NN2C1C=CC(=C2)C=2N(C(N(C2C)CC2CCOCC2)=O)C=2C=C(C=CC2)C | 5 |
CN1[C@H](CCC1)CO.C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)S(=O)C)CN(CC2)C2=C(C=CC=C2)C(F)(F)F)CC#N>C1(=CC=CC=C1)C.O>C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)OC[C@@H]1N(CCC1)C)CN(CC2)C2=C(C=CC=C2)C(F)(F)F)CC#N | 3 |
C(C1=CC=CC=C1)N(CC1=CC=CC=C1)CCOCCOCCC(NC(C(NCCCC(=O)OC(C)(C)C)=O)C)=O>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)N(CC1=CC=CC=C1)CCOCCOCCC(NC(C(NCCCC(=O)O)=O)C)=O | 3 |
NC=1C=2N(C=CN1)C(=NC2C2=CC=C(C=C2)CNC(C2=C(C=CC(=C2)F)OC)=O)C21CCC(CC2)(CC1)C(=O)OC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>NC=1C=2N(C=CN1)C(=NC2C2=CC=C(CNC(C1=C(C=CC(=C1)F)OC)=O)C=C2)C21CCC(CC2)(CC1)CO | 3 |
Cl.C(C)N.NC1=NC=C(C=C1OCC1CCN(CC1)C1=CC(=NC(=N1)Cl)C(=O)OC)C=1N=NN(C1C)C>CCN(CC)CC.CCO[H]>NC1=NC=C(C=C1OCC1CCN(CC1)C1=CC(=NC(=N1)Cl)C(=O)NCC)C=1N=NN(C1C)C | 3 |
[OH:1][C@H:2]([CH3:12])[CH2:3][NH:4][C:5](=[O:11])[O:6][C:7]([CH3:10])([CH3:9])[CH3:8].[H-].[Na+].[CH3:15]I>C1COCC1>[CH3:15][O:1][C@H:2]([CH3:12])[CH2:3][NH:4][C:5](=[O:11])[O:6][C:7]([CH3:8])([CH3:10])[CH3:9] | 1 |
C[Zn]C.[CH3:4]CCCCCC.Br[C:12]1[CH:13]=[C:14]([C:35]([F:38])([F:37])[F:36])[C:15]2[N:16]([N:19]=[C:20]([CH2:22][CH2:23][C:24]3[N:25]([CH3:34])[N:26]=[C:27]([N:29]4[CH2:33][CH2:32][CH2:31][CH2:30]4)[N:28]=3)[N:21]=2)[C:17]=1[CH3:18]>O1CCOCC1.C1(P(C2C=CC=CC=2)CCCP(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Ni](Cl)Cl>[CH3:18][C:17]1[N:16]2[N:19]=[C:20]([CH2:22][CH2:23][C:24]3[N:25]([CH3:34])[N:26]=[C:27]([N:29]4[CH2:33][CH2:32][CH2:31][CH2:30]4)[N:28]=3)[N:21]=[C:15]2[C:14]([C:35]([F:38])([F:36])[F:37])=[CH:13][C:12]=1[CH3:4] | 1 |
[CH2:1]([S:5][C:6]1[N:11]=[C:10]([C:12]([OH:14])=O)[CH:9]=[CH:8][CH:7]=1)[CH:2]([CH3:4])[CH3:3].[NH2:15][C@@H:16]([CH2:20][CH:21]([CH3:23])[CH3:22])[C:17]([NH2:19])=[O:18]>>[C:17]([C@@H:16]([NH:15][C:12]([C:10]1[CH:9]=[CH:8][CH:7]=[C:6]([S:5][CH2:1][CH:2]([CH3:3])[CH3:4])[N:11]=1)=[O:14])[CH2:20][CH:21]([CH3:23])[CH3:22])(=[O:18])[NH2:19] | 1 |
C(N(CC)C(C)C)(C)C.Cl.[F:11][C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=1[C@@H:19]1[CH2:23][C@@H:22]([N:24]([CH3:26])[CH3:25])[CH2:21][C@H:20]1[C:27]([OH:29])=O.Cl.[Cl:31][C:32]1[CH:33]=[CH:34][C:35]([CH:44]2[CH2:49][CH2:48][NH:47][CH2:46][CH2:45]2)=[C:36]([C@@H:38]([NH:40][C:41](=[O:43])[CH3:42])[CH3:39])[CH:37]=1.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>CN(C)C=O.O>[Cl:31][C:32]1[CH:33]=[CH:34][C:35]([CH:44]2[CH2:45][CH2:46][N:47]([C:27]([C@@H:20]3[CH2:21][C@H:22]([N:24]([CH3:25])[CH3:26])[CH2:23][C@H:19]3[C:13]3[CH:14]=[CH:15][C:16]([F:18])=[CH:17][C:12]=3[F:11])=[O:29])[CH2:48][CH2:49]2)=[C:36]([C@@H:38]([NH:40][C:41](=[O:43])[CH3:42])[CH3:39])[CH:37]=1 | 1 |
C(N(CC)C(C)C)(C)C.[Li]CCCC.[CH3:15][C:16]1[CH:21]=[N:20][CH:19]=[CH:18][N:17]=1.Br[CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25]>C1COCC1>[N:17]1[CH:18]=[CH:19][N:20]=[CH:21][C:16]=1[CH2:15][CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25] | 2 |
[F:1][C:2](=[C:6]([F:8])[F:7])[CH2:3][CH2:4][OH:5].CC(C)=[O:11].OS(O)(=O)=O.O=[Cr](=O)=O>CC(C)=O>[F:1][C:2](=[C:6]([F:8])[F:7])[CH2:3][C:4]([OH:11])=[O:5] | 1 |
FC1=C(N)C=CC=C1.ClC1=NC=2C(=CC=CC2C2=C1C=CS2)C2=NN=CN2>CN1C(CCC1)=O>FC1=C(C=CC=C1)NC1=NC=2C(=CC=CC2C2=C1C=CS2)C2=NN=CN2 | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]([N+:15]([O-:17])=[O:16])=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:7]=1.[NH:18]1[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1.O>CN1C(=O)CCC1>[N+:15]([C:5]1[CH:4]=[CH:3][C:2]([N:18]2[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]2)=[CH:7][C:6]=1[NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)([O-:17])=[O:16] | 1 |
[C:1]([O:5][C:6]([N:8]([CH2:60][CH3:61])[C@H:9]([C:25]([NH:27][C@@H:28]([C:33]([NH:35][CH2:36][C:37]([NH:39][C@H:40]([C:48]([NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:56]([O:58][CH3:59])=[O:57])=[O:49])[CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:38])=[O:34])[CH2:29][CH2:30][S:31][CH3:32])=[O:26])[CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17]C(OCC(C)C)=O)=[CH:13][CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[Cl:68]CCl.S(=O)(=O)(O)[O-].[K+]>CO>[OH2:5].[ClH:68].[C:1]([O:5][C:6]([N:8]([CH2:60][CH3:61])[C@H:9]([C:25]([NH:27][C@@H:28]([C:33]([NH:35][CH2:36][C:37]([NH:39][C@H:40]([C:48]([NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:56]([O:58][CH3:59])=[O:57])=[O:49])[CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:38])=[O:34])[CH2:29][CH2:30][S:31][CH3:32])=[O:26])[CH2:10][C:11]1[CH:12]=[CH:13][C:14]([OH:17])=[CH:15][CH:16]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:1]([O:5][C:6]([N:8]([CH2:60][CH3:61])[C@H:9]([C:25]([NH:27][C@@H:28]([C:33]([NH:35][CH2:36][C:37]([NH:39][C@H:40]([C:48]([NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][C:56](=[O:57])[O:58][CH3:59])=[O:49])[CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:38])=[O:34])[CH2:29][CH2:30][S:31][CH3:32])=[O:26])[CH2:10][C:11]1[CH:12]=[CH:13][C:14]([OH:17])=[CH:15][CH:16]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[ClH:68] | 1 |
C\C=C/C.C(C=C(C)C)NCC(=O)O>>C(C=CC)NCC(=O)O | 5 |
FC(C(=O)OCC)(F)F.CC=1C=C(C=CC1OC)C(C)=O>>FC(C(CC(=O)C1=CC(=C(C=C1)OC)C)=O)(F)F | 5 |
COC=1C=C(CCN)C=CC1.COC1=C(C=CC=C1)C1=CC(=CC(=C1)N1N=NN=C1)C(=O)O>ClCCl.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC=1C=C(C=CC1)CCNC(=O)C=1C=C(C=C(C1)N1N=NN=C1)C1=C(C=CC=C1)OC | 3 |
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