smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC1=C(OC2=NC(=C(C=C21)C2=CC=C(C=C2)Cl)C2=C(C=CC=C2)Cl)C(=O)OCC>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>ClC1=C(C=CC=C1)C1=C(C=C2C(=N1)OC(=C2NC(C(F)(F)F)=O)C(=O)OCC)C2=CC=C(C=C2)Cl | 3 |
[CH2:1]([O:3][C:4](=[O:21])[C:5]1[CH:10]=[CH:9][C:8]([Br:11])=[C:7]([CH2:12][NH:13][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:6]=1)[CH3:2].C(N(C(C)C)CC)(C)C.[CH:31]1([C:34](Cl)=[O:35])[CH2:33][CH2:32]1>C(Cl)Cl>[CH2:1]([O:3][C:4](=[O:21])[C:5]1[CH:10]=[CH:9][C:8]([Br:11])=[C:7]([CH2:12][N:13]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:34]([CH:31]2[CH2:33][CH2:32]2)=[O:35])[CH:6]=1)[CH3:2] | 1 |
C(C1=CC=CC=C1)C(CC(=O)OCC)(CC1=CC=C(C=C1)OCCCNC1=[N+](C=CC=C1)[O-])C>c3c(P(c1ccccc1)c2ccccc2)cccc3.[Fe].C(C)(=O)O>C(C1=CC=CC=C1)C(CC(=O)OCC)(CC1=CC=C(C=C1)OCCCNC1=NC=CC=C1)C | 3 |
CC1C=C2[C:9](=CC=1[N+]([O-])=O)[NH:8][CH2:7]CC2.C([O-])([O-])=O.[K+].[K+].BrCC(Cl)=O.Br[CH2:27][C:28]([N:30]1[C:39]2[C:34](=[CH:35][C:36]([CH3:43])=[C:37]([N+:40]([O-:42])=[O:41])[CH:38]=2)[CH2:33][CH2:32][CH2:31]1)=[O:29].N(C)C>C1COCC1.O.CCOC(C)=O>[CH3:7][N:8]([CH3:9])[CH2:27][C:28]([N:30]1[C:39]2[C:34](=[CH:35][C:36]([CH3:43])=[C:37]([N+:40]([O-:42])=[O:41])[CH:38]=2)[CH2:33][CH2:32][CH2:31]1)=[O:29] | 1 |
[CH3:1][S:2]([N:5]1[CH2:10][CH2:9][NH:8][CH2:7][CH2:6]1)(=[O:4])=[O:3].[C:11](#[N:14])[CH:12]=[CH2:13]>CO>[CH3:1][S:2]([N:5]1[CH2:10][CH2:9][N:8]([CH2:13][CH2:12][C:11]#[N:14])[CH2:7][CH2:6]1)(=[O:4])=[O:3] | 1 |
C(C(=C)C)(=O)O.Cl.ClC1=C(C=CC=C1)C(C)(C)N>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C=CC=C1)C(C)(C)NC(C(=C)C)=O | 3 |
C(C)(C)(C)OC(=O)N1[C@@H](CCC1)CN1C=C(C2=C1N=CN=C2N)C2=CC=C(C=C2)OC2=CC=CC=C2>>O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CN(C=2N=CN=C(C21)N)C[C@H]2NCCC2 | 5 |
[OH:1][C@:2]1([C:18]#[C:19][CH3:20])[C@H:6]([OH:7])[C@@H:5]([CH2:8][OH:9])[O:4][C@H:3]1[N:10]1[CH:15]=[CH:14][C:13](=[O:16])[NH:12][C:11]1=[O:17].C([Mg]Cl)(C)(C)C.FC1C(F)=C(F)C(F)=C(F)C=1O[C:31]1[CH:48]=[CH:47][CH:46]=[CH:45][C:32]=1[O:33][P:34](=[N:36][C@@H:37]([CH3:44])[C:38]([O:40][CH:41]([CH3:43])[CH3:42])=[O:39])=[O:35]>C1COCC1>[O:17]=[C:11]1[NH:12][C:13](=[O:16])[CH:14]=[CH:15][N:10]1[C@@H:3]1[O:4][C@H:5]([CH2:8][O:9][C:45]2[CH:46]=[CH:47][CH:48]=[CH:31][C:32]=2[O:33][P:34](=[N:36][C@@H:37]([CH3:44])[C:38]([O:40][CH:41]([CH3:43])[CH3:42])=[O:39])=[O:35])[C@@H:6]([OH:7])[C@:2]1([OH:1])[C:18]#[C:19][CH3:20] | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C@H:11]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[O:32][CH3:33])=[CH:16][CH:15]=2)[C@@H:10]([O:34][CH2:35][C:36]2[CH:45]=[C:44]3[C:39]([CH:40]=[CH:41][CH:42]=[N:43]3)=[CH:38][CH:37]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[BH4-].[Na+].[Cl-].[NH4+].CCOCC>CO.O.O.O.O.O.O.[Ni](Cl)Cl>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C@H:11]([C:14]2[CH:15]=[CH:16][C:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[O:32][CH3:33])=[CH:18][CH:19]=2)[C@@H:10]([O:34][CH2:35][C:36]2[CH:45]=[C:44]3[C:39]([CH2:40][CH2:41][CH2:42][NH:43]3)=[CH:38][CH:37]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
CS(=O)[O-].[Na+].CS(=O)(=O)OCC(C)(C)N1N=CC(=C1)NC(=O)OC(C)(C)C>N(C)(C)C=O.[I-].[Na+]>C(C)(C)(C)OC(NC=1C=NN(C1)C(CS(=O)(=O)C)(C)C)=O | 3 |
C([O:3][C:4](=O)[C:5]1[CH:10]=[CH:9][C:8]([I:11])=[CH:7][CH:6]=1)C.[H-].C([Al+]CC(C)C)C(C)C>ClCCl>[I:11][C:8]1[CH:9]=[CH:10][C:5]([CH2:4][OH:3])=[CH:6][CH:7]=1 | 1 |
CNCC(CO)O.FC=1C=C2/C(/C(NC2=CC1F)=O)=C\1/C=C(C(O1)(C)C)C1=CC=C(C(=O)O)C=C1>>FC=1C=C2/C(/C(NC2=CC1F)=O)=C\1/C=C(C(O1)(C)C)C1=CC=C(C(=O)N(C)CC(CO)O)C=C1 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([OH:11])=O)=[CH:4][CH:3]=1.[CH2:12]([NH2:14])[CH3:13].O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.C(N(CC)CC)C>ClCCl.[OH-].[Na+]>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][C:9]([NH:14][CH2:12][CH3:13])=[O:11])=[CH:6][CH:7]=1 | 1 |
FC(S(=O)(=O)O[Si](C)(C)C)(F)F.FC=1C(=NC(NC1)=O)N.C(C)(=O)O[C@H]1[C@H](O[C@]([C@H]1OCC1=CC=CC=C1)(C(F)F)COCC1=CC=CC=C1)OC(C)=O>CC#N.[Cl-].[NH4+]>C(C)(=O)O[C@H]1[C@@H](O[C@]([C@H]1OCC1=CC=CC=C1)(C(F)F)COCC1=CC=CC=C1)N1C(N=C(C(=C1)F)N)=O | 3 |
BrC=1C(=CC(=NC1)Cl)I.C(#C)C=1C=NN(C1)C>[Cu]I.N(C)(C)C=O.O.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC=1C(=CC(=NC1)Cl)C#CC=1C=NN(C1)C | 3 |
Cl[CH2:2][CH:3]([OH:12])[CH2:4][S:5][S:6][CH2:7][CH:8]([OH:11])[CH2:9]Cl.CO.[OH-].[Na+]>C1(C)C=CC=CC=1>[O:11]1[CH2:9][CH:8]1[CH2:7][S:6][S:5][CH2:4][CH:3]1[O:12][CH2:2]1 | 1 |
[CH2:1]([Mg]Br)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].BrCCCCCCCCCCCCCCCCCC.[Mg].II.[CH3:43][Si:44]([CH3:53])([CH3:52])[C:45]1[O:49][CH:48]=[C:47]([CH:50]=[O:51])[CH:46]=1>C(OCC)C.O1CCCC1>[OH:51][CH:50]([C:47]1[CH:46]=[C:45]([Si:44]([CH3:53])([CH3:52])[CH3:43])[O:49][CH:48]=1)[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1] | 1 |
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][C:21]3[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=3)=[CH:16][CH:15]=2)=[O:12])[N:7]([C:27]2[CH:32]=[CH:31][C:30]([CH2:33][C:34]([OH:36])=O)=[CH:29][CH:28]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:37]1[CH2:41][CH2:40][C@H:39]([OH:42])[CH2:38]1.Cl.CN(C)CCCN=C=NCC.C(N(CC)CC)C>C1COCC1.C(Cl)Cl>[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[CH:15]=[CH:16][C:17]([O:20][C:21]3[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=3)=[CH:18][CH:19]=2)=[O:12])[N:7]([C:27]2[CH:28]=[CH:29][C:30]([CH2:33][C:34]([N:37]3[CH2:41][CH2:40][C@H:39]([OH:42])[CH2:38]3)=[O:36])=[CH:31][CH:32]=2)[N:6]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[C:1]([S:4][CH2:5][CH:6]([CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:7]([OH:9])=O)(=[O:3])[CH3:2].C(Cl)(=O)C(Cl)=O.Cl.[NH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]([O:31][CH3:32])=[O:30].C(N(C(C)C)CC)(C)C>>[C:1]([S:4][CH2:5][CH:6]([CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:7]([NH:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]([O:31][CH3:32])=[O:30])=[O:9])(=[O:3])[CH3:2] | 1 |
C(C1=CC=CC=C1)N.COC(C(C(C(C(=O)OC)C)=O)C)=O>CO[H].Cl.C=O>C(C1=CC=CC=C1)N1CC(C(C(C1)(C(=O)OC)C)=O)(C(=O)OC)C | 3 |
ClC1=CC=NC2=CC=NC=C12>N(C)(C)C=O.[Na+].[BH4-].[S-2].[Na+].[Na+]>N1=CC=C(C2=CN=CC=C12)S | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:9])=[N+:6]([O-])[CH:7]=1.C[Si]([C:14]#[N:15])(C)C.C(N(CC)CC)C>C(#N)C>[Br:1][C:2]1[C:7]([C:14]#[N:15])=[N:6][C:5]([CH3:9])=[CH:4][CH:3]=1 | 1 |
[CH2:1]([NH2:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:9][C:10]1[N:11]=[C:12](Cl)[C:13]2[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[S:16][C:14]=2[N:15]=1>>[Cl:9][C:10]1[N:11]=[C:12]([NH:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C:13]2[CH:18]=[C:17]([C:19]([F:21])([F:22])[F:20])[S:16][C:14]=2[N:15]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([CH3:22])[C:7](=[O:21])[C:8]3[CH:18]=[C:17]([CH2:19]Cl)[CH:16]=[N:15][C:9]=3[N:10]([CH2:13][CH3:14])[C:11]=2[N:12]=1.[OH:23][C:24]1[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([CH3:22])[C:7](=[O:21])[C:8]3[CH:18]=[C:17]([CH2:19][O:23][C:24]4[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=4)[CH:16]=[N:15][C:9]=3[N:10]([CH2:13][CH3:14])[C:11]=2[N:12]=1 | 1 |
O.C(C=O)(=O)O.BrC=1C=C(C(=NC1)N)N>O.[Na+].[BH4-]>BrC=1C=C2NCC(NC2=CC1)=O | 3 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH:9]([C:16]2([C:21]([F:24])([F:23])[F:22])[CH2:20][CH2:19][CH2:18][CH2:17]2)[CH2:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])[C:5]([F:25])=[CH:4][N:3]=1.[F:26][C:27]1[CH:28]=[C:29]2[C:35](B3OC(C)(C)C(C)(C)O3)=[CH:34][N:33]([S:45]([C:48]3[CH:53]=[CH:52][C:51]([CH3:54])=[CH:50][CH:49]=3)(=[O:47])=[O:46])[C:30]2=[N:31][CH:32]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C>C1COCC1.O.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]>[F:25][C:5]1[C:6]([NH:8][CH:9]([C:16]2([C:21]([F:24])([F:23])[F:22])[CH2:20][CH2:19][CH2:18][CH2:17]2)[CH2:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])=[N:7][C:2]([C:35]2[C:29]3[C:30](=[N:31][CH:32]=[C:27]([F:26])[CH:28]=3)[N:33]([S:45]([C:48]3[CH:53]=[CH:52][C:51]([CH3:54])=[CH:50][CH:49]=3)(=[O:46])=[O:47])[CH:34]=2)=[N:3][CH:4]=1 | 1 |
[F:1][C:2]([F:8])([F:7])[CH2:3][C:4](O)=[O:5].[F:9][C:10]1[CH:15]=[CH:14][C:13]([CH2:16][NH2:17])=[C:12]([C:18]([F:21])([F:20])[F:19])[CH:11]=1>>[F:1][C:2]([F:8])([F:7])[CH2:3][C:4]([NH:17][CH2:16][C:13]1[CH:14]=[CH:15][C:10]([F:9])=[CH:11][C:12]=1[C:18]([F:21])([F:19])[F:20])=[O:5] | 2 |
O1COC2=C1C=CC(=C2)[C@H](NC(N[C@H](COC(N(CC=2SC=CC2)CC=2SC=CC2)=O)CCCC)=O)CC(=O)OCC>>O1COC2=C1C=CC(=C2)[C@H](NC(N[C@H](COC(N(CC=2SC=CC2)CC=2SC=CC2)=O)CCCC)=O)CC(=O)OC | 5 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([O:13]C)=[O:12])[CH:9]=2)[C:4]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[CH:3]1.[Li+].[OH-].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1COCC1.CO.O>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([OH:13])=[O:12])[CH:9]=2)[C:4]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[CH:3]1 | 1 |
Br[C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][C:13]=1[Cl:14])[C:5]([NH:7][CH:8]1[CH2:10][CH2:9]1)=[O:6].[CH:15]1([CH2:18][NH:19][C:20](=[O:36])[C:21]2[CH:26]=[CH:25][C:24](B3OC(C)(C)C(C)(C)O3)=[CH:23][CH:22]=2)[CH2:17][CH2:16]1.C(=O)([O-])[O-].[Na+].[Na+].C(OCC)(=O)C>CN(C=O)C.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:14][C:13]1[C:2]([C:24]2[CH:25]=[CH:26][C:21]([C:20]([NH:19][CH2:18][CH:15]3[CH2:17][CH2:16]3)=[O:36])=[CH:22][CH:23]=2)=[CH:3][C:4]([C:5]([NH:7][CH:8]2[CH2:10][CH2:9]2)=[O:6])=[CH:11][CH:12]=1 | 1 |
[CH2:1]([C@@H:8]1[CH2:13][C@@H:12]([N:14]([CH2:21][C:22]2[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[N:25]=[CH:24][CH:23]=2)C(=O)C(F)(F)F)[CH2:11][CH2:10][N:9]1[CH2:32][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>>[CH2:1]([C@@H:8]1[CH2:13][C@@H:12]([NH:14][CH2:21][C:22]2[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[N:25]=[CH:24][CH:23]=2)[CH2:11][CH2:10][N:9]1[CH2:32][CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
OC=1C=C(C(=O)O)C=CC1>O.S(O)(O)(=O)=O.[OH-].[Na+].ClC(=O)OCC>C(C)OC(=O)OC=1C=C(C(=O)O)C=CC1 | 3 |
BrC1=CC(=C(C(=O)O)C=C1)C.C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C>>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=CC(=C(C(=O)O)C=C1)C | 5 |
C(C)OC(=O)[C@]1([C@@H]2[C@H]([C@@H]2[C@H](C1)OC(C)=O)C(=O)OCC)NC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(C)OC(=O)[C@]1([C@@H]2[C@H]([C@@H]2[C@H](C1)OC(C)=O)C(=O)OCC)N | 3 |
[CH2:1]([Mg]Br)[CH3:2].[S:5]1[CH:9]=[CH:8][CH:7]=[C:6]1[CH:10]=[O:11]>C1COCC1>[CH2:1]([CH:10]([C:6]1[S:5][CH:9]=[CH:8][CH:7]=1)[OH:11])[CH3:2] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]([CH:17]([CH:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)[C:18](O)=[O:19])=[C:15]3[C:10]([CH2:11][CH2:12][CH2:13][CH2:14]3)=[N:9]2)=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[CH3:31][O:32][C:33](=[O:45])[C:34]1[CH:39]=[CH:38][C:37]([NH2:40])=[C:36]([C:41]([F:44])([F:43])[F:42])[CH:35]=1>CN(C1C=CN=CC=1)C>[CH3:31][O:32][C:33](=[O:45])[C:34]1[CH:39]=[CH:38][C:37]([NH:40][C:18](=[O:19])[CH:17]([C:16]2[N:8]([C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=3)[N:9]=[C:10]3[C:15]=2[CH2:14][CH2:13][CH2:12][CH2:11]3)[CH:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)=[C:36]([C:41]([F:43])([F:42])[F:44])[CH:35]=1 | 1 |
C(C)C1=CSC=2N=CNC(C21)=O>P(Cl)(Cl)(Cl)(Cl)Cl.P(=O)(Cl)(Cl)Cl>ClC=1C2=C(N=CN1)SC=C2CC | 3 |
C1(CCC1)N.ClC=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=C(C=C1)F>>C1(CCC1)NC=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=C(C=C1)F | 5 |
CC1=C(C=C(COS(=O)(=O)C)C=C1)[N+](=O)[O-]>>CC(C1=CC(=CC=C1)[N+](=O)[O-])N1C(C2=CC=CC=C2C1=O)=O | 5 |
C(C(=C)C)(=O)Cl.OCC12C(=O)C(=O)C(CC1)C2(C)C>>C(C(=C)C)(=O)OCC12C(=O)C(=O)C(CC1)C2(C)C | 5 |
C(OC([NH:11][C@H:12]([C:14]1[N:19]=[C:18]2[CH:20]=[CH:21][N:22]([CH3:23])[C:17]2=[CH:16][C:15]=1[C:24]1[CH2:25][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:27][CH:28]=1)[CH3:13])=O)C1C=CC=CC=1>CCO.[Pd]>[NH2:11][C@H:12]([C:14]1[N:19]=[C:18]2[CH:20]=[CH:21][N:22]([CH3:23])[C:17]2=[CH:16][C:15]=1[CH:24]1[CH2:28][CH2:27][N:26]([C:29]([O:31][C:32]([CH3:33])([CH3:35])[CH3:34])=[O:30])[CH2:25]1)[CH3:13] | 1 |
[Br:1][C:2]1[CH:7]=[C:6]([CH2:8][C:9](Cl)(Cl)Cl)[C:5]([CH3:13])=[CH:4][C:3]=1[F:14].[CH3:15][O-:16].[Na+].S(=O)(=O)(O)[OH:19]>CO>[CH3:15][O:16][C:9](=[O:19])[CH2:8][C:6]1[CH:7]=[C:2]([Br:1])[C:3]([F:14])=[CH:4][C:5]=1[CH3:13] | 1 |
ICCCF.N1CC(C1)C(C1=CC(=C(C(=C1)F)[C@H]1N([C@@H](CC2=C1NC1=CC=C(C=C21)F)C)CC(CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)(F)F)F)OC>N(C)(C)C=O.O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(CN1[C@@H](C=2NC3=CC=C(C=C3C2C[C@H]1C)F)C1=C(C=C(C=C1F)C(OC)C1CN(C1)CCCF)F)(F)F | 3 |
N1(CCCCC1)C(=O)Cl.C[C@@]12C3=C(C[C@@H](NCC1)C2(C)C)C(=CC=C3)O>>OC1=CC=CC2=C1C[C@H]1N(CC[C@@]2(C1(C)C)C)C(=O)N1CCCCC1 | 5 |
Cl.FC(OC=1C=C(C=CC1)C1CC2(C1)CCNCC2)(F)F.C1(=CC=CC=C1)OC(NC1=C(C(=NO1)CC)C)=O>>C(C)C1=NOC(=C1C)NC(=O)N1CCC2(CC(C2)C2=CC(=CC=C2)OC(F)(F)F)CC1 | 3 |
C(#N)C[C@@H]1N(CCN(C1)C=1C2=C(N=C(N1)Cl)C(=C(N=C2)Cl)F)C(=O)OC(C)(C)C>CO[H].O1CCOCC1.C(C)(C)N(C(C)C)CC>ClC1=C(C=2N=C(N=C(C2C=N1)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)CC#N)OC[C@H]1N(CC(C1)(F)F)C)F | 3 |
C(C1=CC=CC=C1)OC(=O)Cl.C(C1=CC=CC=C1)N1CCC(CC1)(N(C)C)C1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].CO[H].C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)(C1=CC=CC=C1)N(C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.FC(CN)F>>C(=O)(OC(C)(C)C)N1CCCCC1 | 5 |
O1C(CCCC1)CO.BrC1=NC(=CC=C1)CBr>C1CCCO1.ClCCl.[H-].[Na+]>BrC1=NC(=CC=C1)COCC1OCCCC1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5](Cl)=[O:6].N1C=CC=CC=1.[Br:17][CH2:18][CH2:19][OH:20]>ClCCl>[Br:17][CH2:18][CH2:19][O:20][C:5](=[O:6])[C:4]1[CH:8]=[CH:9][CH:10]=[C:2]([Cl:1])[CH:3]=1 | 1 |
NC1=C(SC=C1)C(=O)OC>>CC1=CC=C(C=C1)S(=O)(=O)NC1=C(SC=C1)C(=O)OC | 5 |
[CH:1]([C:3]1[S:7][C:6]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:5][CH:4]=1)=[O:2].[CH3:13][C:14](=[N:18]O)[C:15](=O)[CH3:16].[ClH:20].C(OCC)(=O)C>>[Cl:20][CH2:13][C:14]1[N:18]=[C:1]([C:3]2[S:7][C:6]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[CH:5][CH:4]=2)[O:2][C:15]=1[CH3:16] | 1 |
N1=C(C=NC=C1)NC(=S)NC(C1=CC=CC=C1)=O>>N1=C(C=NC=C1)NC(=S)N | 5 |
[I-].C[S+](C)(C)=O.[CH3:7]C(C)([O-])C.[K+].CS(C)=O.[CH3:17][O:18][N:19]([CH3:48])[C:20](=[O:47])/[CH:21]=[CH:22]/[C:23]1[N:24]=[CH:25][N:26]([C:28]([C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH:27]=1>O>[CH3:17][O:18][N:19]([CH3:48])[C:20]([CH:21]1[CH2:7][CH:22]1[C:23]1[N:24]=[CH:25][N:26]([C:28]([C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)([C:41]2[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=2)[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH:27]=1)=[O:47] | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][N:5]([CH2:8][CH2:9][C:10]2[CH:15]=[CH:14][C:13]([CH2:16][OH:17])=[CH:12][CH:11]=2)[C:4](=[O:18])[CH:3]=1.Br[CH2:20][C:21]1[CH:25]=[CH:24][S:23][CH:22]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[OH:17][CH2:16][C:13]1[CH:14]=[CH:15][C:10]([CH2:9][CH2:8][N:5]2[CH:6]=[CH:7][C:2]([O:1][CH2:20][C:21]3[CH:25]=[CH:24][S:23][CH:22]=3)=[CH:3][C:4]2=[O:18])=[CH:11][CH:12]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9](=O)[NH:10][N:11]=[CH:12][C:13]=2[C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)=[CH:4][CH:3]=1.N1C=CC=CC=1.O=P(Cl)(Cl)[Cl:30]>C1(C)C=CC=CC=1>[Cl:30][C:9]1[N:10]=[N:11][CH:12]=[C:13]([C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[C:8]=1[C:5]1[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=1 | 1 |
[CH3:1][Mg]I.[CH3:4][O:5][C:6]12[CH2:15][CH:10]3[CH2:11][CH:12]([CH2:14][CH:8]([C:9]3=[O:16])[CH2:7]1)[CH2:13]2>CCOCC.C1COCC1>[CH3:4][O:5][C:6]12[CH2:7][CH:8]3[CH2:14][CH:12]([CH2:11][CH:10]([C:9]3([CH3:1])[OH:16])[CH2:15]1)[CH2:13]2 | 1 |
C=1C(=CN2CCCCC12)C(=O)O>>C=1C(=CN2CCCCC12)C(=O)OC | 5 |
C(CCC)[Sn](C=1C=CC(=NC1)C1(CCC1)O)(CCCC)CCCC.ClC1=C2C(=NC=C1Cl)N(C(=C2)C2=CC=C(C=C2)CN2CCCC2)S(=O)(=O)C2=CC=C(C)C=C2>N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>ClC=1C(=C2C(=NC1)NC(=C2)C2=CC=C(C=C2)CN2CCCC2)C=2C=CC(=NC2)C2(CCC2)O | 3 |
C(N(CC)CC)C.Cl.[CH2:9]([O:16][C:17](=[O:24])[CH2:18][NH:19][C:20](=[O:23])[CH2:21][NH2:22])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.[CH2:25]([C:38](O)=[O:39])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].Cl.C(N=C=NCCCN(C)C)C>C(O)C.C(Cl)(Cl)Cl>[CH2:9]([O:16][C:17](=[O:24])[CH2:18][NH:19][C:20](=[O:23])[CH2:21][NH:22][C:38](=[O:39])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1 | 2 |
[ClH:1].[N:2]1[CH:7]=[CH:6][C:5]([CH2:8][C@@H:9]([N:13](CCCO)C(=O)[O-])[CH:10]([OH:12])[CH3:11])=[CH:4][CH:3]=1>O1CCOCC1>[ClH:1].[ClH:1].[NH2:13][C@H:9]([CH2:8][C:5]1[CH:4]=[CH:3][N:2]=[CH:7][CH:6]=1)[CH:10]([OH:12])[CH3:11] | 2 |
[CH3:1][O:2][C:3](=[O:17])[CH:4]([N:6]1[C:14]2[C:13]([F:15])=[CH:12][N:11]=[CH:10][C:9]=2[C:8]([I:16])=[CH:7]1)[CH3:5].[CH3:18]C(C)([O-])C.[K+]>C1COCC1>[CH3:1][O:2][C:3](=[O:17])[C:4]([N:6]1[C:14]2[C:13]([F:15])=[CH:12][N:11]=[CH:10][C:9]=2[C:8]([I:16])=[CH:7]1)([CH3:18])[CH3:5] | 1 |
CP(=O)=C.C(C1=CC=CC=C1)N1N=CC(=C1)C=1C=NC=C(C1)Br>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C1=CC=CC=C1)N1N=CC(=C1)C=1C=NC=C(C1)P(=O)(C)C | 3 |
C1(CC1)B(O)O.BrC=1C=C(CP(OCC)(OCC)=O)C=C(C1)OC1=NC=C(C=C1)C(F)(F)F>>C1(CC1)C=1C=C(CP(OCC)(OCC)=O)C=C(C1)OC1=NC=C(C=C1)C(F)(F)F | 5 |
COC1=CC=C(C=C1)C1=CC=C(C=C1)[N+](=O)[O-]>>[N+](=O)([O-])C1=CC=C(C=C1)C1=CC=C(C=C1)O | 5 |
C(C1=CC=CC=C1)OC=1C(=C(C=2C[C@@H]3[C@@H]4CCCC[C@@]4(C2C1)CCN3C(=O)OCC3=CC=CC=C3)C)NC3=C(C=CC=C3)[N+](=O)[O-]>CO[H].O.NN.[Ni]>NC1=C(C=CC=C1)NC1=C(C=2C[C@@H]3[C@@H]4CCCC[C@@]4(C2C=C1OCC1=CC=CC=C1)CCN3C(=O)OCC3=CC=CC=C3)C | 3 |
C(CC)C=1N=NN(C1)CC(=O)N1CC(OCC1)C(=O)OCC1=CC=CC=C1>>C(CC)C=1N=NN(C1)CC(=O)N1CC(OCC1)C(=O)O | 5 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=1.[Cl:15][C:16]1[CH:24]=[C:23]([C:25](=[O:29])[N:26]([CH3:28])[CH3:27])[CH:22]=[CH:21][C:17]=1[C:18](O)=[O:19]>>[Cl:15][C:16]1[CH:24]=[C:23]([C:25]([N:26]([CH3:28])[CH3:27])=[O:29])[CH:22]=[CH:21][C:17]=1[C:18]([NH:6][C:5]1[CH:7]=[CH:8][C:2]([Cl:1])=[C:3]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][N:10]=2)[CH:4]=1)=[O:19] | 1 |
COC(=C)C.NC(CO)CC>C1(=CC=CC=C1)C.Cl.[OH-].[Na+].CS(=O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>NC(COC(C)(C)OCC(CC)N)CC | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCO.FC1=C(C=C(C=C1)F)C(C=1C(=CC(=NC1)C(=O)NCO)C)S(=O)(=O)C1=CC=C(C=C1)F>C1=CC=CC=C1.C1(=CC=C(C=C1)S(=O)(=O)O)C>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCOCNC(=O)C1=NC=C(C(=C1)C)C(S(=O)(=O)C1=CC=C(C=C1)F)C1=C(C=CC(=C1)F)F | 3 |
FC(OC1=C2C(=C(C=3C(N(C(C13)=O)C1=CC=C(C=C1)CC(=O)OCC)=O)OC(C)C)C=CC=C2)F>Cl.C(C)(=O)O>FC(OC1=C2C(=C(C=3C(N(C(C13)=O)C1=CC=C(C=C1)CC(=O)O)=O)OC(C)C)C=CC=C2)F | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)O)C=C1.NCCC[Si](OCC)(OCC)OCC>C(C)OCC.ClS(Cl)=O.CCN(CC)CC>C(C)O[Si](CCCNC(C1=CC=C(C=C1)[N+](=O)[O-])=O)(OCC)OCC | 3 |
C(C)N(CC#CC1=CC=C(C=N1)C=1C=C2C(=NC1)NC=C2C(=O)C=2C(=C(C=CC2F)NS(=O)(=O)CCC)F)CC>>FC1=C(C=CC(=C1C(=O)C1=CNC2=NC=C(C=C21)C=2C=NC(=CC2)CCC)F)NS(=O)(=O)CCC | 5 |
[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:20][O:21][CH2:22][CH3:23])[N:14]([CH2:15][C:16]([OH:19])([CH3:18])[CH3:17])[C:10]=2[C:9]2[CH:8]=[CH:7][C:6]([OH:24])=[CH:5][C:4]=2[N:3]=1.Br[CH2:26][C:27]([N:29]1[CH2:34][CH2:33][O:32][CH2:31][CH2:30]1)=[O:28].C(=O)([O-])[O-].[Cs+].[Cs+].O>CN(C=O)C.C(#N)C>[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:20][O:21][CH2:22][CH3:23])[N:14]([CH2:15][C:16]([CH3:18])([OH:19])[CH3:17])[C:10]=2[C:9]2[CH:8]=[CH:7][C:6]([O:24][CH2:26][C:27]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][CH2:30]3)=[O:28])=[CH:5][C:4]=2[N:3]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@@H](C)C(=O)NC(C(=O)OC)C1CC1>Cl.O1CCOCC1>Cl.N[C@@H](C)C(=O)NC(C(=O)OC)C1CC1 | 3 |
C([Li])CCC.[Cl:6][C:7]1[C:8]2[CH2:15][C:14](=[O:16])[NH:13][C:9]=2[N:10]=[CH:11][N:12]=1.Br[CH2:18][C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][C:20]=1[CH2:28]Br>C1COCC1>[Cl:6][C:7]1[C:8]2[C:15]3([CH2:28][C:20]4[C:19](=[CH:24][CH:23]=[C:22]([N+:25]([O-:27])=[O:26])[CH:21]=4)[CH2:18]3)[C:14](=[O:16])[NH:13][C:9]=2[N:10]=[CH:11][N:12]=1 | 1 |
CN1CCNCCC1.ClC=1C=CC=2C3=C(N(C2C1)CC1=CC=C(C=C1)OC)C(=CC(=N3)C3=CC(=C(C=C3)OC)F)C(=O)OC>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C1(=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C)C1=CC=CC=C1>FC=1C=C(C=CC1OC)C=1C=C(C=2N(C=3C=C(C=CC3C2N1)N1CCN(CCC1)C)CC1=CC=C(C=C1)OC)C(=O)OC | 3 |
CS(=O)(=O)Cl.Cl.ClC1=C(C=CC=C1)C1CC(=NN1C1=CC(=CC=C1)N1CCNCC1)C(O)(C(F)(F)F)C(F)(F)F>ClCCl.CCN(CC)CC>ClC1=C(C=CC=C1)C1CC(=NN1C1=CC(=CC=C1)N1CCN(CC1)S(=O)(=O)C)C(O)(C(F)(F)F)C(F)(F)F | 3 |
[OH:1][CH2:2][CH:3]1[C:6](=[O:7])[O:5][CH:4]1[CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH3:24])[CH2:13][C:14]([CH3:23])=[CH:15][C:16]([CH3:22])=[CH:17][C:18]([O:20][CH3:21])=[O:19].[H][H]>CCOC(C)=O.O=[Pt]=O>[OH:1][CH2:2][CH:3]1[C:6](=[O:7])[O:5][CH:4]1[CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH3:24])[CH2:13][CH:14]([CH3:23])[CH2:15][C:16]([CH3:22])=[CH:17][C:18]([O:20][CH3:21])=[O:19] | 1 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[N:7]([C@@H:10]([C@H:14]([CH2:20][CH3:21])[CH2:15][C:16]([F:19])([F:18])[F:17])[C:11](O)=[O:12])=[N+]=[N-]>C1COCC1>[NH2:7][C@@H:10]([C@H:14]([CH2:20][CH3:21])[CH2:15][C:16]([F:17])([F:18])[F:19])[CH2:11][OH:12] | 1 |
FC1=C(C(=CC=C1)F)N1N=CC=2C1=NC=CC2I>>FC1=C(C(=CC=C1)F)N1N=CC=2C1=NC=CC2B(O)O | 5 |
C1(CC1)COC=1C=C(C(=O)OC)C=CC1OS(=O)(=O)CCN(C)C>>C1(CC1)COC=1C=C(C(=O)O)C=CC1OS(=O)(=O)CCN(C)C | 5 |
OC1=NN(C=C1C=O)C1=CC=CC=C1.ClCC1=CC(=C(OCC=2N=C(OC2C)C=2C=CC(=C(C(=O)OC)C2)C)C=C1)OC>>C(=O)C=1C(=NN(C1)C1=CC=CC=C1)OCC1=CC(=C(OCC=2N=C(OC2C)C=2C=CC(=C(C(=O)OC)C2)C)C=C1)OC | 5 |
BrC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl.FC1(C[C@H](NC1)CO)F>c1ccncc1>BrC1=C(C=C(C=C1)S(=O)(=O)N1[C@@H](CC(C1)(F)F)CO)Cl | 3 |
C1(=CC=CC=C1)[C@@H](C)N.BrC=1C=C2N=CC(=NC2=CC1)Cl>CS(=O)C>BrC=1C=C2N=CC(=NC2=CC1)N[C@H](C)C1=CC=CC=C1 | 3 |
[CH3:1][C:2]1([C:7]2[O:11][C:10]([CH2:12][N:13]3[CH:17]=[C:16]([NH2:18])[CH:15]=[N:14]3)=[CH:9][CH:8]=2)[O:6]CCO1.[Cl:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1/[CH:26]=[CH:27]/[C:28](O)=[O:29]>>[C:2]([C:7]1[O:11][C:10]([CH2:12][N:13]2[CH:17]=[C:16]([NH:18][C:28](=[O:29])/[CH:27]=[CH:26]/[C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=3[Cl:19])[CH:15]=[N:14]2)=[CH:9][CH:8]=1)(=[O:6])[CH3:1] | 1 |
OC(C(=O)O)C1=CC=CC=C1.CC=1C=CC=CC1O[C@H](CCNC)C=2C=CC=CC2>O.ClCCl>Cl.CNCC[C@H](C1=CC=CC=C1)OC1=C(C=CC=C1)C | 3 |
Br[CH:2]=[C:3]1[C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[CH2:7][CH2:6][C:5]2[CH:14]=[CH:15][CH:16]=[CH:17][C:4]1=2.[F:18][C:19]([F:30])([F:29])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1B(O)O>>[F:18][C:19]([F:30])([F:29])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[CH:2]=[C:3]1[C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=2[CH2:7][CH2:6][C:5]2[CH:14]=[CH:15][CH:16]=[CH:17][C:4]1=2 | 1 |
[NH2:1][C:2]1[S:3][C:4]2[CH:10]=[C:9]([CH2:11][CH2:12][C:13]3[N:14]=[C:15]4[CH:20]=[C:19]([O:21]C)[CH:18]=[CH:17][N:16]4[C:23]=3[CH3:24])[CH:8]=[CH:7][C:5]=2[N:6]=1.B(Br)(Br)Br.[Cl:29]CCl>>[ClH:29].[ClH:29].[NH2:1][C:2]1[S:3][C:4]2[CH:10]=[C:9]([CH2:11][CH2:12][C:13]3[N:14]=[C:15]4[CH:20]=[C:19]([OH:21])[CH:18]=[CH:17][N:16]4[C:23]=3[CH3:24])[CH:8]=[CH:7][C:5]=2[N:6]=1 | 1 |
BrC1=C(C(=O)OC)C=C(C=C1C)NC1=NC=C(C(=N1)N[C@H]1[C@@H](CCC1)C#N)C>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1.C(C)(=O)[O-].[K+].B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C>C(#N)[C@H]1[C@@H](CCC1)NC1=NC(=NC=C1C)NC=1C=C(C(=C(C(=O)OC)C1)B1OCC(CO1)(C)C)C | 3 |
CO[C:3]1[CH:8]=C[C:6]([NH2:9])=[CH:5][CH:4]=1.[C:10](=[O:13])([O-])[O-].[K+].[K+].[C:16](Cl)(=[O:23])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[CH3:25]CCCCC>ClCCl.C(OCC)(=O)C>[CH3:25][O:13][C:10]1[CH:8]=[CH:3][CH:4]=[CH:5][C:6]=1[NH:9][C:16](=[O:23])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 2 |
[O:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[O:7][CH2:8][C:9]#[C:10][CH:11]([O:24][C:25](=[O:27])[CH3:26])[CH2:12][O:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[CH:15]=1.[H][H]>C(OCC)(=O)C.[Pd]>[O:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[O:7][CH2:8][CH2:9][CH2:10][CH:11]([O:24][C:25](=[O:27])[CH3:26])[CH2:12][O:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[CH:15]=1 | 1 |
C(C(=O)O)(=O)O.C(C)(C)(C)OC(=O)N1CC2(C1)CCNCC2.BrC1=CC2=C(CC(O2)(C)C)C=C1[N+](=O)[O-]>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>CC1(OC2=C(C1)C=C(C(=C2)N2CCC1(CN(C1)C(=O)OC(C)(C)C)CC2)[N+](=O)[O-])C | 3 |
BrCC1CC1.FC1=C(OC2=C(C=C(C=C2)NS(=O)(=O)CC)C2=CN(C(C=C2OCC)=O)C)C=CC(=C1)F>>C1(CC1)CN(S(=O)(=O)CC)C1=CC(=C(C=C1)OC1=C(C=C(C=C1)F)F)C1=CN(C(C=C1OCC)=O)C | 5 |
NC1=C(C(=NN1C[C@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)CNC(C1=C(C=CC=C1)OC)=O)C(N)=O.NC=1C(=C(N(N1)C[C@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)CNC(C1=C(C=CC=C1)OC)=O)C(N)=O>CO[H].ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C(=NN1C[C@H]1CNCCC1)C1=CC=C(C=C1)CNC(C1=C(C=CC=C1)OC)=O)C(=O)N | 3 |
BrC1=C(C=C(C=C1)OC)C.N1N=C(N=C1)C=1C=CC(=C(C1)CNC(OC)=O)C>[Cu]I.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.CN[C@H]1[C@@H](CCCC1)NC>COC1=CC(=C(C=C1)N1N=C(N=C1)C=1C=CC(=C(C1)CNC(OC)=O)C)C | 3 |
[NH:1]([C:8]1[CH:9]=[C:10]([CH:25]=[CH:26][CH:27]=1)[CH2:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][C:21]([O:23]C)=[O:22])=[CH:15][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:28](Br)[CH2:29][CH2:30][CH3:31]>>[CH2:28]([N:1]([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C:8]1[CH:9]=[C:10]([CH:25]=[CH:26][CH:27]=1)[CH2:11][O:12][C:13]1[CH:14]=[CH:15][C:16]([CH2:19][CH2:20][C:21]([OH:23])=[O:22])=[CH:17][CH:18]=1)[CH2:29][CH2:30][CH3:31] | 1 |
Br[CH2:2][C:3]1[CH:40]=[CH:39][CH:38]=[CH:37][C:4]=1[C:5]([NH:7][C:8]1[C:16]2[C:11](=[N:12][CH:13]=[C:14]([Br:17])[N:15]=2)[N:10]([C:18]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:9]=1)=[O:6].[H-].[Na+]>CN(C=O)C>[Br:17][C:14]1[N:15]=[C:16]2[C:8]([N:7]3[CH2:2][C:3]4[C:4](=[CH:37][CH:38]=[CH:39][CH:40]=4)[C:5]3=[O:6])=[CH:9][N:10]([C:18]([C:19]3[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=3)([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=3)[C:11]2=[N:12][CH:13]=1 | 1 |
[C:1]([CH:3]1[CH2:6][N:5]([C:7](=[O:42])[C@H:8]([NH:12][C:13]([C:15]2[C:23]3[C:18](=[N:19][CH:20]=[C:21]([C:24]4[S:32][C:31]5[C:26](=[N:27][CH:28]=[CH:29][C:30]=5[Cl:33])[CH:25]=4)[N:22]=3)[N:17](COCC[Si](C)(C)C)[CH:16]=2)=[O:14])[CH:9]2[CH2:11][CH2:10]2)[CH2:4]1)#[N:2].FC(F)(F)C(O)=O>ClCCl>[C:1]([CH:3]1[CH2:4][N:5]([C:7](=[O:42])[C@H:8]([NH:12][C:13]([C:15]2[C:23]3[C:18](=[N:19][CH:20]=[C:21]([C:24]4[S:32][C:31]5[C:26](=[N:27][CH:28]=[CH:29][C:30]=5[Cl:33])[CH:25]=4)[N:22]=3)[NH:17][CH:16]=2)=[O:14])[CH:9]2[CH2:11][CH2:10]2)[CH2:6]1)#[N:2] | 1 |
[CH:1]([C:3]1[CH:4]=[C:5]([CH:35]=[CH:36][CH:37]=1)[CH2:6][N:7]([C@@H:25]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28][CH2:27][CH2:26]1)[C:8]([C:10]1[CH:15]=[C:14]([C:16]([OH:18])=[O:17])[C:13]([C:19]([OH:21])=[O:20])=[CH:12][C:11]=1[C:22]([OH:24])=[O:23])=[O:9])=O.[O:38]1[CH2:43][CH2:42][CH2:41][CH2:40][CH:39]1[O:44][NH2:45]>>[C@@H:25]1([N:7]([CH2:6][C:5]2[CH:35]=[CH:36][CH:37]=[C:3]([CH:1]=[N:45][O:44][CH:39]3[CH2:40][CH2:41][CH2:42][CH2:43][O:38]3)[CH:4]=2)[C:8]([C:10]2[CH:15]=[C:14]([C:16]([OH:18])=[O:17])[C:13]([C:19]([OH:21])=[O:20])=[CH:12][C:11]=2[C:22]([OH:24])=[O:23])=[O:9])[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28][CH2:27][CH2:26]1 | 1 |
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