smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([O:3][C:4](=[O:28])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[C:8]([C:14]2[C:23]([CH2:24][NH:25][CH2:26][CH3:27])=[CH:22][C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[N:15]=2)[CH:7]=1)[CH3:2].C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl.[CH3:43][O:44][CH2:45][C:46](Cl)=[O:47]>>[CH2:1]([O:3][C:4](=[O:28])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[C:8]([C:14]2[C:23]([CH2:24][N:25]([CH2:26][CH3:27])[C:46](=[O:47])[CH2:45][O:44][CH3:43])=[CH:22][C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[N:15]=2)[CH:7]=1)[CH3:2] | 1 |
[F:1][C:2]1[C:7]([NH2:8])=[CH:6][CH:5]=[C:4]([F:9])[C:3]=1[NH:10][C:11]1[C:16]([C:17]2[N:25]=[CH:24][N:23]=[C:22]3[C:18]=2[N:19]=[CH:20][N:21]3[CH:26]2[CH2:31][CH2:30][CH2:29][CH2:28][O:27]2)=[CH:15][CH:14]=[CH:13][N:12]=1.[Cl:32][C:33]1[CH:34]=[C:35]([S:40](Cl)(=[O:42])=[O:41])[CH:36]=[CH:37][C:38]=1[Cl:39].N1C=CC=CC=1>ClCCl>[Cl:32][C:33]1[CH:34]=[C:35]([S:40]([NH:8][C:7]2[CH:6]=[CH:5][C:4]([F:9])=[C:3]([NH:10][C:11]3[C:16]([C:17]4[N:25]=[CH:24][N:23]=[C:22]5[C:18]=4[N:19]=[CH:20][N:21]5[CH:26]4[CH2:31][CH2:30][CH2:29][CH2:28][O:27]4)=[CH:15][CH:14]=[CH:13][N:12]=3)[C:2]=2[F:1])(=[O:41])=[O:42])[CH:36]=[CH:37][C:38]=1[Cl:39] | 1 |
[ClH:1].[CH3:2][N:3]1[C:7]([S:8][CH2:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([OH:21])=[C:17]([OH:20])[CH:18]=3)[CH2:13][CH2:12][N:11]=2)=[N:6][N:5]=[N:4]1.[BH4-].[Na+].Cl>CO>[ClH:1].[CH3:2][N:3]1[C:7]([S:8][CH2:9][CH:10]2[C:19]3[C:14](=[CH:15][C:16]([OH:21])=[C:17]([OH:20])[CH:18]=3)[CH2:13][CH2:12][NH:11]2)=[N:6][N:5]=[N:4]1 | 1 |
CN1C(N(C=2N=C(N(C2C1=O)COCC[Si](C)(C)C)OC1=CC(=CC=C1)C(F)(F)F)C)=O>CCO[H].Cl>CN1C(N(C=2N=C(NC2C1=O)OC1=CC(=CC=C1)C(F)(F)F)C)=O | 3 |
C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)OCCl>CC(=O)C.[I-].[Na+]>C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)OCI | 3 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([C:12]([OH:14])=O)[CH:6]=[CH:5]2.[NH:15]1[CH2:20][CH2:19][S:18][CH2:17][CH2:16]1>>[OH:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([C:12]([N:15]1[CH2:20][CH2:19][S:18][CH2:17][CH2:16]1)=[O:14])[CH:6]=[CH:5]2 | 1 |
N1=CC=NC2=C(C=CC=C12)CC(=O)OC(C)(C)C>>N1=CC=NC2=C(C=CC=C12)CC(=O)O | 5 |
BrC(C=O)C=O.NC=1C(=NC=C(C1)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)C(N)=S>ClCCl.c1ccncc1.C(C)(=O)OCC.CC1OCCC1>NC=1C(=NC=C(C1)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)C=1SC(=CN1)C=O | 3 |
[C:1]([O:5][C:6](=[O:43])[N:7]([C:16]1[CH:21]=[CH:20][C:19]([CH:22]([C:24]2[C:32]3[C:27](=[N:28][CH:29]=[C:30]([Cl:33])[CH:31]=3)[N:26]([S:34]([C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)(=[O:36])=[O:35])[CH:25]=2)[OH:23])=[CH:18][N:17]=1)[CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[F:15])([CH3:4])([CH3:3])[CH3:2].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(=O)([O-])[O-].[K+].[K+]>ClCCl>[C:1]([O:5][C:6](=[O:43])[N:7]([C:16]1[CH:21]=[CH:20][C:19]([C:22]([C:24]2[C:32]3[C:27](=[N:28][CH:29]=[C:30]([Cl:33])[CH:31]=3)[N:26]([S:34]([C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)(=[O:35])=[O:36])[CH:25]=2)=[O:23])=[CH:18][N:17]=1)[CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[F:15])([CH3:4])([CH3:2])[CH3:3] | 1 |
BrC=1C=C2C(C(NC2=CC1)=O)(CCBr)CCBr>N(C)(C)C=O.[S-2].[Na+].[Na+]>BrC=1C=C2C(=CC1)NC(C21CCSCC1)=O | 3 |
C1N(CC=2C=NC=CC21)C(=O)OC(C)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)(C)(C)OC(=O)N1CC=2C=[N+](C=CC2C1)[O-] | 3 |
FC1=C(N=CC2=C1N=C(N=C2N2C[C@H]1CC[C@@H](C2)N1C(=O)OC(C)(C)C)OCC12CCCN2CCC1)C1=C2C=NN(C2=CC2=C1C=CC=C2)C2OCCCC2>ClCCl.C(=O)(C(F)(F)F)O>[C@H]12CN(C[C@H](CC1)N2)C=2C1=C(N=C(N2)OCC23CCCN3CCC2)C(=C(N=C1)C1=C2C=NNC2=CC2=C1C=CC=C2)F | 3 |
CN(C)CC1=CC=2CN(CCC2O1)C(=O)C1=CC=C(C=C1)\C=C/C1=CC=CC=C1>CO[H].Cl.C(C)(=O)OCC>Cl.CN(C)CC1=CC=2CN(CCC2O1)C(=O)C1=CC=C(C=C1)\C=C/C1=CC=CC=C1 | 3 |
OC1=CC=C(C(=O)O)C=C1>CCO[H].N1CCCCC1>OC1=CC=C(C(=O)[O-])C=C1.[NH2+]1CCCCC1 | 3 |
[ClH:1].Cl.[C:3]([C:6]1[CH:14]=[C:13]2[C:9]([CH:10]=[C:11]([CH2:15][CH:16]([C:21]3[CH:26]=[CH:25][C:24]([O:27][C@H:28]4[CH2:32][CH2:31][NH:30][CH2:29]4)=[CH:23][CH:22]=3)[C:17]([O:19]C)=[O:18])[NH:12]2)=[CH:8][CH:7]=1)(=[NH:5])[NH2:4].Cl>O.C(#N)C>[ClH:1].[ClH:1].[C:3]([C:6]1[CH:14]=[C:13]2[C:9]([CH:10]=[C:11]([CH2:15][CH:16]([C:21]3[CH:22]=[CH:23][C:24]([O:27][C@H:28]4[CH2:32][CH2:31][NH:30][CH2:29]4)=[CH:25][CH:26]=3)[C:17]([OH:19])=[O:18])[NH:12]2)=[CH:8][CH:7]=1)(=[NH:4])[NH2:5] | 1 |
ClC1=NNC(C2=C1OC(=C2)C(=O)OC)=O.ClCC(=O)N(C)C1=CC2=C(OC(O2)(F)F)C=C1>>ClC1=NN(C(C2=C1OC(=C2)C(=O)OC)=O)CC(=O)N(C)C2=CC1=C(OC(O1)(F)F)C=C2 | 5 |
O[C:2]1[C:11]([NH:12][C:13](=[O:26])[C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]3[CH:21]=[N:22][CH:23]=[CH:24][CH:25]=3)[CH:15]=2)=[CH:10][CH:9]=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].O.CC1C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[N:22]1[CH:23]=[CH:24][CH:25]=[C:20]([C:16]2[CH:15]=[C:14]([C:13]3[O:26][C:2]4[C:3]([C:4]([O:6][CH3:7])=[O:5])=[CH:8][CH:9]=[CH:10][C:11]=4[N:12]=3)[CH:19]=[CH:18][CH:17]=2)[CH:21]=1 | 1 |
[CH2:1]([NH:6][C:7]([NH:9][C:10]#[N:11])=[NH:8])[CH2:2][CH2:3][CH2:4][CH3:5].C(NCC)C.[SH2:17]>CO>[CH2:1]([NH:6][C:7]([NH:9][C:10]([NH2:11])=[S:17])=[NH:8])[CH2:2][CH2:3][CH2:4][CH3:5] | 1 |
[F:1][C:2]([F:32])([F:31])[C:3]1[CH:4]=[C:5]([CH:10]=[C:11]([CH2:13][C:14]2[CH:15]=[C:16]3[C:20](=[CH:21][CH:22]=2)[CH2:19][C@H:18]([NH:23][S:24]([C:27]([F:30])([F:29])[F:28])(=[O:26])=[O:25])[CH2:17]3)[CH:12]=1)[C:6](OC)=[O:7].[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[F:29][C:27]([F:28])([F:30])[S:24]([NH:23][C@@H:18]1[CH2:17][C:16]2[C:20](=[CH:21][CH:22]=[C:14]([CH2:13][C:11]3[CH:12]=[C:3]([C:2]([F:1])([F:31])[F:32])[CH:4]=[C:5]([CH2:6][OH:7])[CH:10]=3)[CH:15]=2)[CH2:19]1)(=[O:26])=[O:25] | 1 |
[O:1]1[CH2:6][CH2:5][CH:4]([O:7][C:8]([NH:10][CH2:11][C:12]([OH:14])=O)=[O:9])[CH2:3][CH2:2]1.[CH:15]1[C:25]2[CH:24]=[CH:23][C:22]3[CH:26]=[CH:27][CH:28]=[CH:29][C:21]=3[C:20](=[C:30]3[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]3)[C:19]=2[CH:18]=[CH:17][CH:16]=1.Cl.C(N=C=NCCCN(C)C)C.C(N(CC)CC)C>ClCCl.CN(C)C1C=CN=CC=1.CN(C)C=O>[CH:15]1[C:25]2[CH:24]=[CH:23][C:22]3[CH:26]=[CH:27][CH:28]=[CH:29][C:21]=3[C:20](=[C:30]3[CH2:31][CH2:32][N:33]([C:12](=[O:14])[CH2:11][NH:10][C:8](=[O:9])[O:7][CH:4]4[CH2:3][CH2:2][O:1][CH2:6][CH2:5]4)[CH2:34][CH2:35]3)[C:19]=2[CH:18]=[CH:17][CH:16]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][NH:5][C:4](=[O:8])[CH:3]=1.[NH:9]1[CH:13]=[CH:12][C:11]([CH:14]=O)=[N:10]1.[C:16]([CH2:18][C:19](=[S:21])N)#[N:17].C(O)(=O)C>CC(O)C>[O:8]=[C:4]1[NH:5][CH:6]=[CH:7][C:2]2[N:1]=[C:19]([SH:21])[C:18]([C:16]#[N:17])=[C:14]([C:11]3[CH:12]=[CH:13][NH:9][N:10]=3)[C:3]1=2 | 1 |
[OH:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[N:4]=[CH:5][CH:6]=[N:7]2.[P:12](Cl)(Cl)(Cl)=[O:13].Cl.[CH:18]([O:21][C:22](=[O:26])[C@H:23]([CH3:25])[NH2:24])([CH3:20])[CH3:19].FC1C(O)=C(F)C(F)=C(F)C=1F.[F:39][C@:40]1([CH3:56])[C@H:44]([OH:45])[C@@H:43]([CH2:46][OH:47])[O:42][C@H:41]1[N:48]1[CH:55]=[CH:54][C:52](=[O:53])[NH:51][C:49]1=[O:50]>>[CH:18]([O:21][C:22](=[O:26])[C@@H:23]([NH:24][P:12]([O:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[N:4]=[CH:5][CH:6]=[N:7]2)([O:47][CH2:46][C@@H:43]1[C@@H:44]([OH:45])[C@:40]([F:39])([CH3:56])[C@H:41]([N:48]2[CH:55]=[CH:54][C:52](=[O:53])[NH:51][C:49]2=[O:50])[O:42]1)=[O:13])[CH3:25])([CH3:20])[CH3:19] | 2 |
BrC1=C(C=C2C(=C(C(N(C2=C1F)C=1C(=NC=CC1C)C(C)C)=O)S(=O)(=O)C)Cl)Cl>CC#N.C([O-])([O-])=O.[K+].[K+].C(=O)(OC(C)(C)C)N1CCNCC1>BrC1=C(C=C2C(=C(C(N(C2=C1F)C=1C(=NC=CC1C)C(C)C)=O)S(=O)(=O)C)N1CCN(CC1)C(=O)OC(C)(C)C)Cl | 4 |
[F:1][C:2]1[CH:3]=[C:4]([C@@:12]([NH:27][C:28]([NH:30][C:31](=[O:38])[C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[S:29])([C:20]2[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=2)[CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.I[CH3:40].O>CN(C=O)C>[C:31](/[N:30]=[C:28](\[S:29][CH3:40])/[NH:27][C@:12]([C:4]1[CH:5]=[C:6]([C:8]([F:9])([F:11])[F:10])[CH:7]=[C:2]([F:1])[CH:3]=1)([C:20]1[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=1)[CH2:13][C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)(=[O:38])[C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1 | 1 |
[OH:1][C:2]1[CH:12]=[CH:11][C:5]2[C:6](=[O:10])[CH2:7][CH2:8][O:9][C:4]=2[C:3]=1[CH2:13][CH2:14][CH3:15].C[O:17][C:18](=[O:46])[CH2:19][CH2:20][C:21]1[C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]OS(C)(=O)=O)=[CH:25][CH:24]=[CH:23][C:22]=1[O:38][CH2:39][CH2:40][CH2:41][C:42]([O:44]C)=[O:43]>>[C:42]([CH2:41][CH2:40][CH2:39][O:38][C:22]1[CH:23]=[CH:24][CH:25]=[C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][O:1][C:2]2[CH:12]=[CH:11][C:5]3[C:6](=[O:10])[CH2:7][CH2:8][O:9][C:4]=3[C:3]=2[CH2:13][CH2:14][CH3:15])[C:21]=1[CH2:20][CH2:19][C:18]([OH:46])=[O:17])([OH:44])=[O:43] | 1 |
[Cl:1][C:2]1[C:7](I)=[C:6]([CH3:9])[N:5]=[C:4]([NH2:10])[N:3]=1.[CH3:11][C:12]1(C)C(C)(C)OB(C=C)O1.ClCCl.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC>[Cl:1][C:2]1[C:7]([CH:11]=[CH2:12])=[C:6]([CH3:9])[N:5]=[C:4]([NH2:10])[N:3]=1 | 2 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[O:7]1[CH2:11][CH2:10][O:9][CH:8]1[CH2:12][CH2:13][C:14]#[N:15].O.[OH-].[Na+]>CCOCC>[O:7]1[CH2:11][CH2:10][O:9][CH:8]1[CH2:12][CH2:13][CH2:14][NH2:15] | 1 |
[CH2:1]([O:8][C:9](=[O:35])[C@@H:10]([NH:20][C:21](=[O:34])[C@@H:22]([NH:26][C:27]([O:29]C(C)(C)C)=O)[CH:23]1[CH2:25][CH2:24]1)[CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.FC(F)(F)C(O)=O.C(N(CC)C(C)C)(C)C.[CH2:52]1[C:60]2[C:55](=[CH:56][CH:57]=[CH:58][CH:59]=2)[CH2:54][CH:53]1C(O)=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>ClCCl.O.CN(C=O)C>[CH2:1]([O:8][C:9](=[O:35])[C@@H:10]([NH:20][C:21](=[O:34])[C@H:22]([CH:23]1[CH2:25][CH2:24]1)[NH:26][C:27]([CH:53]1[CH2:52][C:60]2[C:55](=[CH:56][CH:57]=[CH:58][CH:59]=2)[CH2:54]1)=[O:29])[CH2:11][C:12]1[CH:13]=[CH:14][C:15]([O:18][CH3:19])=[CH:16][CH:17]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:10]=[C:11]3[C:15](=[CH:16][CH:17]=2)[N:14]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[N:13]=[CH:12]3)[CH:5]=[CH:4][N:3]=1.[CH:25]([NH:28][C:29](=[O:47])[CH2:30][O:31][C:32]1[CH:37]=[CH:36][CH:35]=[C:34](B2OC(C)(C)C(C)(C)O2)[CH:33]=1)([CH3:27])[CH3:26].C(Cl)Cl.C([O-])([O-])=O.[K+].[K+]>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]>[CH:25]([NH:28][C:29](=[O:47])[CH2:30][O:31][C:32]1[CH:37]=[C:36]([C:2]2[N:7]=[C:6]([NH:8][C:9]3[CH:10]=[C:11]4[C:15](=[CH:16][CH:17]=3)[N:14]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[N:13]=[CH:12]4)[CH:5]=[CH:4][N:3]=2)[CH:35]=[CH:34][CH:33]=1)([CH3:27])[CH3:26] | 2 |
NC1=CC=CC(=N1)C(=O)OC.Cl.C1(CC1)C1=CC=C(C=N1)C1=CC(=NC=C1)C(=O)O>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(CC1)C1=CC=C(C=N1)C1=CC(=NC=C1)C(=O)NC1=CC=CC(=N1)C(=O)OC | 3 |
ClC1=CC(=C(N1C1=CC=C(C=C1)OC)C(=O)OCC)NC(CC1=C(C=CC=C1)F)=O>>ClC1=CC=2NC(C(=C(C2N1C1=CC=C(C=C1)OC)O)C1=C(C=CC=C1)F)=O | 5 |
OC1=C(C(N(C2=NC=CC=C12)CCC(C)C)=O)C1=NS(C2=C(N1)C=CC(=C2)NS(=O)(=O)NCCNC(OC(C)(C)C)=O)(=O)=O>Cl.O1CCOCC1>NCCNS(=O)(=O)NC1=CC2=C(NC(=NS2(=O)=O)C=2C(N(C3=NC=CC=C3C2O)CCC(C)C)=O)C=C1 | 3 |
C(C)C1=CC2=CC(=CC=C2C=C1)OC>ClCCl>C(C)C1=CC=C2C=CC(=CC2=C1)O | 3 |
C(C1=CC=CC=C1)(=O)Cl.Cl.NCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O>>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1)CNC(C1=CC=CC=C1)=O)=O)=O | 5 |
FC1C=CC(S(Cl)(=O)=O)=C(C)C=1.[F:13][C:14]1[CH:19]=[CH:18][C:17]([S:20]([N:23]2[C:27]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)=[CH:26][C:25]([C:34](OCC)=[O:35])=[CH:24]2)(=[O:22])=[O:21])=[C:16]([CH3:39])[CH:15]=1>>[F:13][C:14]1[CH:19]=[CH:18][C:17]([S:20]([N:23]2[C:27]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)=[CH:26][C:25]([CH:34]=[O:35])=[CH:24]2)(=[O:21])=[O:22])=[C:16]([CH3:39])[CH:15]=1 | 1 |
C(=O)([O-])[O-].[Na+].[Na+].Br[C:8]1[CH:16]=[CH:15][C:11]([C:12]([OH:14])=[O:13])=[CH:10][CH:9]=1.[CH2:17]([O:24][C:25]1[CH:26]=[C:27](B(O)O)[CH:28]=[CH:29][C:30]=1[O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)CC)C.Cl>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.O.O1CCOCC1>[CH2:17]([O:24][C:25]1[CH:26]=[C:27]([C:8]2[CH:16]=[CH:15][C:11]([C:12]([OH:14])=[O:13])=[CH:10][CH:9]=2)[CH:28]=[CH:29][C:30]=1[O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 2 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][C:3]=1[C:12]([O:14]CC)=O.C(N(CC)CC)C.[C:24]1([NH:30][NH2:31])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CC1C=CC=CC=1C>[C:24]1([N:30]2[C:12](=[O:14])[C:3]3=[CH:4][NH:5][C:6]4[CH:7]=[CH:8][CH:9]=[CH:10][C:11]=4[C:2]3=[N:31]2)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
NCCN1CCOCC1.CC1=C(C=CC(=N1)C(=O)O)[N+](=O)[O-]>>CC1=C(C=CC(=N1)C(=O)NCCN1CCOCC1)[N+](=O)[O-] | 5 |
BrC=1C(=NC=C(C1)F)N.ClC1=NC=C(C(=C1)[Sn](C)(C)C)Cl>[Cu]I.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=NC=C(C(=C1)C=1C(=NC=C(C1)F)N)Cl | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:16]3[C:11](=[CH:12][C:13]([F:17])=[CH:14][CH:15]=3)[N:10]([S:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)(=[O:20])=[O:19])[CH:9]=2)=[CH:4][C:3]=1[NH:27][C:28](=O)[CH2:29][N:30]([CH3:32])[CH3:31].C([O-])([O-])=O.[Na+].[Na+]>CC(O)=O>[F:17][C:13]1[CH:12]=[C:11]2[C:16]([C:8]([C:5]3[CH:6]=[CH:7][C:2]4[N:1]=[C:28]([CH2:29][N:30]([CH3:31])[CH3:32])[NH:27][C:3]=4[CH:4]=3)=[CH:9][N:10]2[S:18]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)(=[O:19])=[O:20])=[CH:15][CH:14]=1 | 2 |
OC1=C(C=C(C(=O)O)C=C1)C>O.S(O)(O)(=O)=O.CO[H].[OH-].[Na+]>OC1=C(C=C(C(=O)OC)C=C1)C | 3 |
C(C)(C)(C)OC(=O)N1C(CCCC1)C(C=[N+]=[N-])=O>C(C)(=O)OCC.COC(C)(C)C.C(C)(=O)O.Br>C(C)(C)(C)OC(=O)N1C(CCCC1)C(CBr)=O | 3 |
FC=1C=NC=2C=CC(N3C2C1C(C3)(F)CN3CCC(CC3)NC(OC(C)(C)C)=O)=O>CO[H].ClCCl.Cl.O1CCOCC1>Cl.Cl.NC1CCN(CC1)CC1(CN2C=3C1=C(C=NC3C=CC2=O)F)F | 3 |
[OH:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[CH:9][CH:8]=[CH:7]2.[C:12]([Li])([CH3:15])([CH3:14])[CH3:13].C(OO)(C)(C)C.C1(C)C=CC=CC=1>C1COCC1>[C:12]([C:9]1[CH:8]=[CH:7][C:6]2[C:11](=[C:2]([OH:1])[CH:3]=[CH:4][CH:5]=2)[N:10]=1)([CH3:15])([CH3:14])[CH3:13] | 2 |
FC1=CC=C(CN2C[C@H](NCC2)C)C=C1.C(C)(C)(C)OC(=O)N1CC(OC2=C1C=C(C=C2)Cl)CC(=O)O>>C(C)(C)(C)OC(=O)N1CC(OC2=C1C=C(C=C2)Cl)CC(=O)N2[C@@H](CN(CC2)CC2=CC=C(C=C2)F)C | 5 |
C1COCCN1.C1(=CC=CC=C1)S(=O)(=O)NC=1C=C(C=NC1Cl)C1=C(N=C(S1)NC(C)=O)CBr>C1CCCO1>C1(=CC=CC=C1)S(=O)(=O)NC=1C=C(C=NC1Cl)C1=C(N=C(S1)NC(C)=O)CN1CCOCC1 | 3 |
C(C)(C)(C)OC(=O)NC1CCC(CC1)C(=O)O.NC1=CC=C(C(=O)N)C=C1>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>NC(=O)C1=CC=C(C=C1)NC(=O)C1CCC(CC1)NC(OC(C)(C)C)=O | 3 |
FC1=NC(=CC=C1)C=O.IC=1C=C(C(=NC1)N)N>O.C1CCCO1.CO[H].[Na+].[BH4-].C(C)(=O)O.C(O)([O-])=O.[Na+]>FC1=CC=CC(=N1)CNC=1C(=NC=C(C1)I)N | 3 |
Cl[C:2]1[C:7]([C:8]#[C:9][C:10]2[C:11](=[O:21])[O:12][C:13]3[C:18]([CH:19]=2)=[CH:17][CH:16]=[C:15]([F:20])[CH:14]=3)=[C:6]([CH3:22])[N:5]=[C:4]([CH3:23])[N:3]=1.[SH-:24].[Na+]>CCO.O>[CH3:23][C:4]1[N:5]=[C:6]([CH3:22])[C:7]2[CH:8]=[C:9]([C:10]3[C:11](=[O:21])[O:12][C:13]4[C:18]([CH:19]=3)=[CH:17][CH:16]=[C:15]([F:20])[CH:14]=4)[S:24][C:2]=2[N:3]=1 | 2 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]2[S:14][CH:13]=[C:12]([CH2:15][O:16][C:17]3[CH:22]=[C:21]([NH2:23])[CH:20]=[CH:19][C:18]=3[CH3:24])[C:8]=2[CH:9]=[N:10][CH:11]=1)=[O:5])[CH3:2].[F:25][C:26]1[CH:27]=[C:28]([CH:32]=[CH:33][CH:34]=1)[C:29](Cl)=[O:30]>>[CH2:1]([O:3][C:4]([C:6]1[C:7]2[S:14][CH:13]=[C:12]([CH2:15][O:16][C:17]3[CH:22]=[C:21]([NH:23][C:29](=[O:30])[C:28]4[CH:32]=[CH:33][CH:34]=[C:26]([F:25])[CH:27]=4)[CH:20]=[CH:19][C:18]=3[CH3:24])[C:8]=2[CH:9]=[N:10][CH:11]=1)=[O:5])[CH3:2] | 1 |
ICC(C)C.C1=C(C)C=CC(C(C)C)=C1O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C(C)C)C1=C(C=C(C=C1)C)OCC(C)C | 3 |
[Cl:1][C:2]1[N:7]2[N:8]=[C:9]([NH2:11])[N:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1.Cl.[C:13](Cl)(=[O:20])[C:14]1[CH:19]=[CH:18][CH:17]=[N:16][CH:15]=1>>[Cl:1][C:2]1[N:7]2[N:8]=[C:9]([NH:11][C:13](=[O:20])[C:14]3[CH:19]=[CH:18][CH:17]=[N:16][CH:15]=3)[N:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1 | 1 |
[C:1]([O:4][C:5]1[C:6]([CH3:26])=[N+:7]([O-])[C:8]([CH:11]([O:21][C:22](=[O:24])[CH3:23])[CH2:12][N:13]([C:17]([CH3:20])([CH3:19])[CH3:18])[C:14](=[O:16])[CH3:15])=[CH:9][CH:10]=1)(=[O:3])[CH3:2].[C:27]([O:30]C(=O)C)(=[O:29])[CH3:28].C(=O)(O)[O-].[Na+]>C(OCC)(=O)C>[C:1]([O:4][C:5]1[C:6]([CH2:26][O:30][C:27](=[O:29])[CH3:28])=[N:7][C:8]([CH:11]([O:21][C:22](=[O:24])[CH3:23])[CH2:12][N:13]([C:17]([CH3:20])([CH3:19])[CH3:18])[C:14](=[O:16])[CH3:15])=[CH:9][CH:10]=1)(=[O:3])[CH3:2] | 1 |
FC1=C(OCC(=O)OCC)C=CC(=C1NCC1=C(C(=CC(=C1)C1=CC(=CC=C1)F)C)C)F>>FC1=C(OCC(=O)O)C=CC(=C1NCC1=C(C(=CC(=C1)C1=CC(=CC=C1)F)C)C)F | 5 |
[NH2:1][C:2]1[N:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([N+:12]([O-])=O)[CH:8]=2)[N:3]=1.[H][H]>[Pd].CCOC(C)=O.CO>[NH2:1][C:2]1[N:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([NH2:12])[CH:8]=2)[N:3]=1 | 2 |
COC1=CC=C(C=C1)S(=O)(=O)Cl.Cl.COC(CN)=O>O.ClCCl.CCN(CC)CC>COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC | 3 |
COP(OC)(=O)C(C(C)=O)=[N+]=[N-].C(C)OC(CCCOC1=C(C(=CC=C1)CCCCCC=O)CCC(=O)OCC)=O>>COC(CCCOC1=C(C(=CC=C1)CCCCCC#C)CCC(=O)OC)=O | 5 |
C(C)(=O)SCC1(CC2=CC=CC=C2CC1)C(=O)NCC(O)C(=O)OCC1=CC=CC=C1>C1CCCO1.N>SCC1(CC2=CC=CC=C2CC1)C(=O)NCC(O)C(=O)OCC1=CC=CC=C1 | 3 |
C(OC(=O)[NH:7][C:8]1[N:9]([CH3:26])[C:10](=[O:25])[C:11]([CH3:24])([CH3:23])[C@:12]([C:15]2[CH:20]=[C:19]([NH2:21])[CH:18]=[CH:17][C:16]=2[F:22])([CH3:14])[N:13]=1)(C)(C)C.[F:28][C:29]([O:37][CH3:38])([C:33]([F:36])([F:35])[F:34])[C:30](O)=[O:31]>>[NH2:7][C:8]1[N:9]([CH3:26])[C:10](=[O:25])[C:11]([CH3:23])([CH3:24])[C@:12]([C:15]2[CH:20]=[C:19]([NH:21][C:30](=[O:31])[C:29]([F:28])([O:37][CH3:38])[C:33]([F:36])([F:35])[F:34])[CH:18]=[CH:17][C:16]=2[F:22])([CH3:14])[N:13]=1 | 1 |
N[C@H](C([CH:8]([CH:16]([NH2:31])[CH:17]([OH:30])[CH2:18][O:19][C:20]1[C:25]([F:26])=[C:24]([F:27])[CH:23]=[C:22]([F:28])[C:21]=1[F:29])[C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])=O)C(C)C.[CH3:32][N:33]1[C:41]2[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=2)[CH:35]=[C:34]1[C:42]([OH:44])=O.C[N:46]1[CH2:51][CH2:50][O:49]CC1.[CH:52]1[CH:53]=CC2N(O)N=NC=2[CH:57]=1.CCN=C=NCCCN(C)C>C(Cl)Cl>[CH3:32][N:33]1[C:41]2[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=2)[CH:35]=[C:34]1[C:42]([NH:46][C@H:51]([C:50]([NH:31][CH:16]([CH:17]([OH:30])[CH2:18][O:19][C:20]1[C:21]([F:29])=[C:22]([F:28])[CH:23]=[C:24]([F:27])[C:25]=1[F:26])[CH2:8][C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])=[O:49])[CH:52]([CH3:53])[CH3:57])=[O:44] | 1 |
FC=1C=C(CN)C=C(C1)F.C(C1=CC=CC=C1)N1C(=C(C2=CC(=CC=C12)OCOC)C=O)C(C)C>>C(C1=CC=CC=C1)N1C(=C(C2=CC(=CC=C12)OCOC)CNCC1=CC(=CC(=C1)F)F)C(C)C | 5 |
CS(=O)(=O)Cl.N1=CN=C(C2=CC=CC=C12)OCCCCCOC=1C(C=C(OC1)CO)=O>>CS(=O)(=O)OCC=1OC=C(C(C1)=O)OCCCCCOC1=NC=NC2=CC=CC=C12 | 5 |
[NH2:1][C:2]1[N:7]=[C:6]2[N:8]([CH2:20][CH3:21])[C:9]([C:11]([N:13]([CH:17]3[CH2:19][CH2:18]3)[CH:14]3[CH2:16][CH2:15]3)=[O:12])=[CH:10][C:5]2=[C:4]2[N:22]([CH3:25])[CH:23]=[N:24][C:3]=12.[C:26](N1C=CC=CC1=O)(N1C=CC=CC1=O)=[S:27]>ClCCl>[CH:14]1([N:13]([CH:17]2[CH2:19][CH2:18]2)[C:11]([C:9]2[N:8]([CH2:20][CH3:21])[C:6]3=[N:7][C:2]([N:1]=[C:26]=[S:27])=[C:3]4[N:24]=[CH:23][N:22]([CH3:25])[C:4]4=[C:5]3[CH:10]=2)=[O:12])[CH2:16][CH2:15]1 | 1 |
[Br:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][CH:5]=[C:4]([CH3:10])[N:3]=1.S(OOS([O-])(=O)=O)([O-])(=O)=[O:12].[K+].[K+].C(Cl)Cl>C(#N)C.O>[CH3:9][O:8][C:7]1[CH:6]=[CH:5][C:4]([CH:10]=[O:12])=[N:3][C:2]=1[Br:1] | 1 |
[CH3:1][C:2]1[C:6]([C:7]#[N:8])=[CH:5][NH:4][N:3]=1.C1C(=O)N([I:16])C(=O)C1>ClCCCl>[I:16][C:5]1[NH:4][N:3]=[C:2]([CH3:1])[C:6]=1[C:7]#[N:8] | 1 |
ClC=1C=C2C=C(N(C2=CC1)C(=O)OC(C)(C)C)C=1C=NC=CC1>ClCCl.C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC>ClC=1C=C2C=C(NC2=CC1)C=1C=NC=CC1 | 3 |
ClC1=CC=C(S1)C1C(NC(O1)=O)CC1=CC(=CC=C1)OC(C(F)F)(F)F>CCO[H].[OH-].[Na+]>NC(C(O)C=1SC(=CC1)Cl)CC1=CC(=CC=C1)OC(C(F)F)(F)F | 3 |
FC(S(=O)(=O)OC1=CC=C2C(CCOC2=C1)=O)(F)F>>C(=C)C1=CC=C2C(CCOC2=C1)=O | 5 |
C(O)(C(F)(F)F)=O.[C:8]([C:10]1[N:11]=[CH:12][C:13]([NH:16][C:17]2[CH:22]=[C:21]([NH:23][CH2:24][C@H:25]3[O:30][CH2:29][CH2:28][N:27](C(OC(C)(C)C)=O)[CH2:26]3)[C:20]([C:38]3[CH:43]=[CH:42][C:41]([O:44][CH3:45])=[CH:40][CH:39]=3)=[CH:19][N:18]=2)=[N:14][CH:15]=1)#[N:9]>ClCCl>[CH3:45][O:44][C:41]1[CH:42]=[CH:43][C:38]([C:20]2[C:21]([NH:23][CH2:24][C@H:25]3[O:30][CH2:29][CH2:28][NH:27][CH2:26]3)=[CH:22][C:17]([NH:16][C:13]3[N:14]=[CH:15][C:10]([C:8]#[N:9])=[N:11][CH:12]=3)=[N:18][CH:19]=2)=[CH:39][CH:40]=1 | 1 |
[CH3:1]OP(C(=[N+]=[N-])C(=O)C)(=O)OC.[F:13][C:14]1[CH:19]=[CH:18][C:17]([C:20]2[N:24]([CH3:25])[N:23]=[C:22]([CH:26]=O)[CH:21]=2)=[CH:16][CH:15]=1.C(=O)([O-])[O-].[K+].[K+]>CO>[C:26]([C:22]1[CH:21]=[C:20]([C:17]2[CH:18]=[CH:19][C:14]([F:13])=[CH:15][CH:16]=2)[N:24]([CH3:25])[N:23]=1)#[CH:1] | 1 |
C(C)OC(C[C@H](C1=CC=CC=C1)NC1=NC(=NC=C1[N+](=O)[O-])C1CC1)=O>>C(C)OC(C[C@H](C1=CC=CC=C1)NC1=NC(=NC=C1N)C1CC1)=O | 5 |
FC(F)(F)S(O[C:7]1[N:29]=[CH:28][C:10]2[C:11]3[N:12]([CH:16]=[C:17]([C:19]4[N:23]([CH:24]([CH3:26])[CH3:25])[N:22]=[C:21]([CH3:27])[N:20]=4)[N:18]=3)[CH2:13][CH2:14][O:15][C:9]=2[CH:8]=1)(=O)=O.[CH2:32]([NH2:43])[C:33]1[CH:42]=[CH:41][C:38]([O:39][CH3:40])=[C:35]([O:36][CH3:37])[CH:34]=1.C(N(CC)CC)C>CN1CCCC1=O.O.CO.C(Cl)Cl>[CH3:37][O:36][C:35]1[CH:34]=[C:33]([CH:42]=[CH:41][C:38]=1[O:39][CH3:40])[CH2:32][NH:43][C:7]1[N:29]=[CH:28][C:10]2[C:11]3[N:12]([CH:16]=[C:17]([C:19]4[N:23]([CH:24]([CH3:25])[CH3:26])[N:22]=[C:21]([CH3:27])[N:20]=4)[N:18]=3)[CH2:13][CH2:14][O:15][C:9]=2[CH:8]=1 | 1 |
[CH2:1]1[CH:5]2[CH2:6][NH:7][CH2:8][CH:4]2[CH2:3][N:2]1[C:9]1[CH:10]=[CH:11][C:12]2[N:13]([C:15]([C:18]([F:21])([F:20])[F:19])=[N:16][N:17]=2)[N:14]=1.[Cl:22][C:23]1[CH:24]=[C:25]([CH:28]=[CH:29][CH:30]=1)[CH:26]=O>>[Cl:22][C:23]1[CH:24]=[C:25]([CH2:26][N:7]2[CH2:8][CH:4]3[CH:5]([CH2:1][N:2]([C:9]4[CH:10]=[CH:11][C:12]5[N:13]([C:15]([C:18]([F:20])([F:21])[F:19])=[N:16][N:17]=5)[N:14]=4)[CH2:3]3)[CH2:6]2)[CH:28]=[CH:29][CH:30]=1 | 1 |
C(C)(=O)OC(C)=O.N[C@H]1CN(CC1)C1=CC=C(C(=O)NC=2C=C(C=CC2NC(OC(C)(C)C)=O)C2=CC=C(C=C2)F)C=C1>c1ccncc1>C(C)(=O)N[C@H]1CN(CC1)C1=CC=C(C(=O)NC=2C=C(C=CC2NC(OC(C)(C)C)=O)C2=CC=C(C=C2)F)C=C1 | 3 |
[F:1][C:2]1[CH:23]=[CH:22][C:5]([CH2:6][CH2:7][C:8]2[S:9][C:10]3[N:11]=[C:12]([NH2:21])[N:13]=[C:14](S(C)(=O)=O)[C:15]=3[N:16]=2)=[CH:4][CH:3]=1.[CH3:24][O:25][C:26]1[CH:36]=[CH:35][C:29]([O:30][CH2:31][C:32]([OH:34])=O)=[CH:28][CH:27]=1.CN(C(O[N:45]1N=[N:52][C:47]2C=CC=C[C:46]1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[CH3:59][CH2:60]N(C(C)C)C(C)C>CN(C=O)C.O>[NH2:21][C:12]1[N:13]=[C:14]([N:45]2[CH2:46][CH2:47][N:52]([C:32](=[O:34])[CH2:31][O:30][C:29]3[CH:28]=[CH:27][C:26]([O:25][CH3:24])=[CH:36][CH:35]=3)[CH2:60][CH2:59]2)[C:15]2[N:16]=[C:8]([CH2:7][CH2:6][C:5]3[CH:22]=[CH:23][C:2]([F:1])=[CH:3][CH:4]=3)[S:9][C:10]=2[N:11]=1 | 1 |
NC=1NC(C=2N=C(N(C2N1)[C@@H]1O[C@@H]([C@@H]([C@H]1O)O)CO)OCC1=CC=CC=C1)=O>C1(=CC=NC=C1)N(C)C.c1ccncc1.C(C)(=O)OC(C)=O>C(C)(=O)O[C@H]1[C@H](O[C@H]([C@@H]1OC(C)=O)N1C=2N=C(NC(C2N=C1OCC1=CC=CC=C1)=O)N)COC(C)=O | 3 |
[C:1]([O:5][C:6](=[O:23])[CH2:7]/[N:8]=[CH:9]/[CH2:10][C:11]([CH3:22])([CH3:21])[CH2:12][O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:16])[CH3:15])([CH3:4])([CH3:3])[CH3:2].[Cl:24][C:25]1[C:26]([F:43])=[C:27](/[CH:31]=[C:32](/[C:35]2[CH:40]=[CH:39][C:38]([Cl:41])=[CH:37][C:36]=2[F:42])\[C:33]#[N:34])[CH:28]=[CH:29][CH:30]=1.C(N(CC)CC)C.C1CCN2C(=NCCC2)CC1>ClCCl.C(O)(C)(C)C>[C:1]([O:5][C:6]([CH:7]1[CH:31]([C:27]2[CH:28]=[CH:29][CH:30]=[C:25]([Cl:24])[C:26]=2[F:43])[C:32]([C:35]2[CH:40]=[CH:39][C:38]([Cl:41])=[CH:37][C:36]=2[F:42])([C:33]#[N:34])[CH:9]([CH2:10][C:11]([CH3:22])([CH3:21])[CH2:12][O:13][Si:14]([C:17]([CH3:20])([CH3:19])[CH3:18])([CH3:16])[CH3:15])[NH:8]1)=[O:23])([CH3:3])([CH3:2])[CH3:4] | 1 |
FC(S(=O)(=O)OC1NC=CC=C1CC1CC=CC1)(F)F>>C12C=3N=CC=CC3CC(C=C1)C2 | 5 |
[CH:1]1[C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=[CH:3][C:2]=1[OH:11].[H-].[Na+].[Cl:14][C:15]1[C:16]([F:29])=[CH:17][C:18]([F:28])=[C:19]([CH:27]=1)[C:20]([NH:22][S:23]([CH3:26])(=[O:25])=[O:24])=[O:21].[NH4+].[Cl-]>CN(C=O)C>[Cl:14][C:15]1[C:16]([O:11][C:2]2[CH:3]=[CH:4][C:5]3[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=3[CH:1]=2)=[CH:17][C:18]([F:28])=[C:19]([CH:27]=1)[C:20]([NH:22][S:23]([CH3:26])(=[O:24])=[O:25])=[O:21].[Cl:14][C:15]1[C:16]([F:29])=[CH:17][C:18]([O:11][C:2]2[CH:3]=[CH:4][C:5]3[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=3[CH:1]=2)=[C:19]([CH:27]=1)[C:20]([NH:22][S:23]([CH3:26])(=[O:25])=[O:24])=[O:21] | 1 |
FC(C(=O)[O-])(F)F.C(C)(C)(C)OC(=O)NS(=O)(=O)N(C=1C=NN(C1)C(C)C)C[C@H]1[NH+](C[C@@H](C1)F)C>Cl.C(C)(=O)OCC>Cl.F[C@@H]1C[C@H](N(C1)C)CN(S(=O)=O)NC=1C=NN(C1)C(C)C | 3 |
BrC1=CC=C(C=C1)C#C>>BrC1=CC=C(C=C1)C=1N=NNC1 | 5 |
CI.CCOC(=O)C.C(Cl)Cl.C(C)N(CC)CC.C1(OCC2=C3C(C=CC=C13)=CC=C2)C(=O)OC>>CC1(OCC2=C3C(C=CC=C13)=CC=C2)C=2NCCN2 | 5 |
N[C@@H](C)C(=O)O.C(CCC)OC(=O)C=1N=C(C2=CC=CC=C2C1O)C#N>>C(#N)C1=NC(=C(C2=CC=CC=C12)O)C(=O)N[C@H](C(=O)O)C | 5 |
I[C:2]1[CH:3]=[N:4][N:5]2[C:10]([C:11]([F:14])([F:13])[F:12])=[CH:9][C:8]([C:15]3[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=3)=[N:7][C:6]=12.[C:25]([C:27]1[CH:32]=[CH:31][C:30]([C:33]([OH:36])([CH3:35])[CH3:34])=[CH:29][CH:28]=1)#[CH:26]>>[F:12][C:11]([F:14])([F:13])[C:10]1[N:5]2[N:4]=[CH:3][C:2]([C:26]#[C:25][C:27]3[CH:32]=[CH:31][C:30]([C:33]([OH:36])([CH3:34])[CH3:35])=[CH:29][CH:28]=3)=[C:6]2[N:7]=[C:8]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=2)[CH:9]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC2=C(C(=NO2)C2=C(C=CC=C2)[C@H](CC2=NC=CC=C2)N)C=C1>>BrC1=CC2=C(C(=NO2)C2=C(C=CC=C2)[C@H](CC2=NC=CC=C2)NC(OC(C)(C)C)=O)C=C1 | 5 |
C([N+](CCCC)(CCCC)CCCC)CCC.C(OC([NH:28][C@H:29]1[C@H:32]([CH3:33])[N:31]([S:34]([O-:37])(=[O:36])=[O:35])[C:30]1=[O:38])=O)C1C=CC=CC=1.[H][H]>C(O)C.[Pd]>[NH2:28][C@H:29]1[C@H:32]([CH3:33])[N:31]([S:34]([OH:37])(=[O:35])=[O:36])[C:30]1=[O:38] | 1 |
NC1=CC=CC=C1.BrC=1C(OC=2CCCC(C2C1C)=O)=O>>BrC=1C(N(C=2CCCC(C2C1C)=O)C1=CC=CC=C1)=O | 3 |
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][S:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][N:16]=[C:15]([NH:19][C:20]3[CH:28]=[CH:27][C:23]([C:24](O)=[O:25])=[CH:22][CH:21]=3)[N:14]=2)=[CH:9][CH:8]=1.[O:29]1[CH:33]=[CH:32][CH:31]=[C:30]1[C:34]([N:36]1[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1)=[O:35].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>C1COCC1.C(Cl)Cl>[O:29]1[CH:33]=[CH:32][CH:31]=[C:30]1[C:34]([N:36]1[CH2:37][CH2:38][N:39]([C:24]([C:23]2[CH:22]=[CH:21][C:20]([NH:19][C:15]3[N:14]=[C:13]([C:10]4[CH:9]=[CH:8][C:7]([S:6][CH2:5][CH2:4][CH2:3][CH2:2][OH:1])=[CH:12][CH:11]=4)[CH:18]=[CH:17][N:16]=3)=[CH:28][CH:27]=2)=[O:25])[CH2:40][CH2:41]1)=[O:35] | 1 |
FC(OC1=CC=C(CNC(=O)[C@@H]2N(CCN(C2)C=2SC3=C(N=C(N=C3Cl)C3CC3)N2)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=C1)(F)F>CCO[H].[Pd].C(=O)[O-].[NH4+]>FC(OC1=CC=C(CNC(=O)[C@@H]2N(CCN(C2)C=2SC3=C(N=C(N=C3)C3CC3)N2)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=C1)(F)F | 3 |
CC1=NC2=CC=CC(=C2C=C1)N1C[C@H](NCC1)C.N1=NN=C2N1C1=CC=CC(=C1C=C2)CC=O>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>Cl.Cl.C[C@H]1N(CCN(C1)C1=C2C=CC(=NC2=CC=C1)C)CCC1=C2C=CC=3N(C2=CC=C1)N=NN3 | 3 |
C([Si](C(C)C)(C(C)C)[O:5][CH2:6][CH2:7][CH2:8][N:9]1[CH2:13][CH2:12][CH2:11][C@H:10]1[C:14]1[N:18]2[CH:19]=[C:20]([O:23][C@H:24]3[C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[C@@H:27]([NH2:34])[CH2:26][CH2:25]3)[CH:21]=[CH:22][C:17]2=[N:16][N:15]=1)(C)C.CCN(C(C)C)C(C)C.ClC(Cl)(Cl)C[O:53][C:54](=O)[NH:55][C:56]1[N:57]([C:65]2[CH:70]=[CH:69][C:68]([CH3:71])=[CH:67][CH:66]=2)[N:58]=[C:59]([C:61]([CH3:64])([CH3:63])[CH3:62])[CH:60]=1>O1CCOCC1>[C:61]([C:59]1[CH:60]=[C:56]([NH:55][C:54]([NH:34][C@@H:27]2[C:28]3[C:33](=[CH:32][CH:31]=[CH:30][CH:29]=3)[C@H:24]([O:23][C:20]3[CH:21]=[CH:22][C:17]4[N:18]([C:14]([C@@H:10]5[CH2:11][CH2:12][CH2:13][N:9]5[CH2:8][CH2:7][CH2:6][OH:5])=[N:15][N:16]=4)[CH:19]=3)[CH2:25][CH2:26]2)=[O:53])[N:57]([C:65]2[CH:70]=[CH:69][C:68]([CH3:71])=[CH:67][CH:66]=2)[N:58]=1)([CH3:64])([CH3:62])[CH3:63] | 1 |
[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[CH2:11][C:12]([OH:14])=O)[CH:4]=[CH:3][CH:2]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH2:39][CH2:40][CH:41]([OH:53])[CH2:42][N:43]1[CH2:52][CH2:51][C:50]2[C:45](=[CH:46][CH:47]=[CH:48][CH:49]=2)[CH2:44]1>C(Cl)Cl.O>[CH2:44]1[C:45]2[C:50](=[CH:49][CH:48]=[CH:47][CH:46]=2)[CH2:51][CH2:52][N:43]1[CH2:42][CH:41]([OH:53])[CH2:40][NH:39][C:12](=[O:14])[CH2:11][C:9]1[CH:8]=[CH:7][CH:6]=[C:5]2[C:10]=1[N:1]=[CH:2][CH:3]=[CH:4]2 | 1 |
FC=1C=CC(=NC1)N1N=C(C=C1)C=O>>C(C)OC(\C=C\C1=NN(C=C1)C1=NC=C(C=C1)F)=O | 5 |
CC1=NN2C(C(=NC(=C2)NC(OC(C)(C)C)=O)C2=CC=CC=C2)=N1>ClCCl.C(=O)(C(F)(F)F)O>CC1=NN2C(C(=NC(=C2)N)C2=CC=CC=C2)=N1 | 3 |
C([N:4]1[CH2:9][CH2:8][CH:7]([C:10]2[CH:15]=[CH:14][C:13]([NH:16][C:17]3[C:18]4[N:19]([N:28]=[CH:29][N:30]=4)[C:20]([C:23]4[CH:24]=[N:25][NH:26][CH:27]=4)=[CH:21][N:22]=3)=[CH:12][CH:11]=2)[CH2:6][CH2:5]1)(C)C.Br[CH2:32][C:33]([NH2:35])=[O:34]>>[NH:26]1[CH:27]=[C:23]([C:20]2[N:19]3[N:28]=[CH:29][N:30]=[C:18]3[C:17]([NH:16][C:13]3[CH:12]=[CH:11][C:10]([CH:7]4[CH2:8][CH2:9][N:4]([CH2:32][C:33]([NH2:35])=[O:34])[CH2:5][CH2:6]4)=[CH:15][CH:14]=3)=[N:22][CH:21]=2)[CH:24]=[N:25]1 | 1 |
C1COCCN1.C(#N)CC(=S)N.FC(C(=O)OCC)C(C(F)(F)F)=O>CCO[H]>FC1=C(C(=C(NC1=O)S)C#N)C(F)(F)F | 3 |
C(C)(C)(C)OC(=O)N1[C@H](C[C@H](CC1)NCC1=CC=CC=C1)C1=CC=CC=C1>Cl.O1CCOCC1>C(C1=CC=CC=C1)N[C@@H]1C[C@@H](NCC1)C1=CC=CC=C1 | 3 |
FC1=C(C(=O)NC2=CC=C(C=C2)C=2OC(=NN2)NCCCN2CCOCC2)C(=CC=C1)F>CO[H].Cl.O1CCOCC1>Cl.FC1=C(C(=O)NC2=CC=C(C=C2)C=2OC(=NN2)NCCCN2CCOCC2)C(=CC=C1)F | 3 |
FC1(CN(CC1)CCOC1=CC=C(CCNC(OC(C)(C)C)=O)C=C1)F>O1CCOCC1>FC1(CN(CC1)CCOC1=CC=C(C=C1)CCN)F | 3 |
NC=1C=C2C=C(NC2=CC1)C(C)(C)C.BrC1=C(C(=O)OC)C=C(C=C1)C1CC1>>C(C)(C)(C)C=1NC2=CC=C(C=C2C1)NC1=C(C(=O)OC)C=C(C=C1)C1CC1 | 5 |
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