smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(CCC(=O)O)(=O)O.ClC1=CC=C(NC2=NN=C(C3=CC=CC=C23)CC2=CC=NC=C2)C=C1>CCO[H]>C(CCC(=O)O)(=O)O.ClC1=CC=C(NC2=NN=C(C3=CC=CC=C23)CC2=CC=NC=C2)C=C1 | 3 |
[N:1]1(CCOC2C=CC(NC(N)=O)=CC=2)CCCC1.[N:19]([C:22]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]2)=[CH:24][CH:23]=1)=[C:20]=[S:21]>C(Cl)Cl.CO>[CH3:34][N:31]1[CH2:30][CH2:29][N:28]([C:25]2[CH:24]=[CH:23][C:22]([NH:19][C:20]([NH2:1])=[S:21])=[CH:27][CH:26]=2)[CH2:33][CH2:32]1 | 1 |
N1(CCOCC1)C=1C=C(C=CC1)N.ClC1=NC=C(C(=N1)C=1C=C(C=CC1)NC(C=C)=O)Cl>>ClC=1C(=NC(=NC1)NC1=CC(=CC=C1)N1CCOCC1)C=1C=C(C=CC1)NC(C=C)=O | 5 |
CC=1N=C(SC1)[Sn](CCCC)(CCCC)CCCC.ClC1=NN2C(C(=N1)OC1=CC=CC=C1)=CC=C2>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC=1N=C(SC1)C1=NN2C(C(=N1)OC1=CC=CC=C1)=CC=C2 | 3 |
C(C)(C)(C)OC(N[C@H]1CN(CC[C@H]1F)C1=C2C(=C(NC2=C(C=C1F)C#N)C)C)=O>O(O[H])[H].C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(C)(C)(C)OC(N[C@H]1CN(CC[C@H]1F)C1=C2C(=C(NC2=C(C=C1F)C(N)=O)C)C)=O | 3 |
[Cl:1][CH2:2][CH2:3][CH2:4][C:5]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)([CH:8]1[CH2:12][CH2:11][CH2:10][CH2:9]1)[C:6]#[N:7].[CH2:20](CN)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[CH3:29][N:30](C)C=O>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.O>[ClH:1].[F:19][C:16]1[CH:17]=[CH:18][C:13]([C:5]([CH2:4][CH2:3][CH2:2][N:30]([CH3:29])[CH2:20][C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)([CH:8]2[CH2:12][CH2:11][CH2:10][CH2:9]2)[C:6]#[N:7])=[CH:14][CH:15]=1 | 1 |
CC1=CC(=NC=C1[N+](=O)[O-])C(=O)OC>>CN(/C=C/C1=CC(=NC=C1[N+](=O)[O-])C(=O)OC)C | 5 |
[CH3:1][N:2]1[C:6]2=[N:7][CH:8]=[C:9]([CH2:11][CH2:12]OS(C3C=CC(C)=CC=3)(=O)=O)[CH:10]=[C:5]2[O:4][CH2:3]1.[C:24]1([N:30]2[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C(N(CC)CC)C.[O:43]1CCOCC1>>[CH3:1][N:2]1[C:6]2=[N:7][CH:8]=[C:9]([CH2:11][CH2:12][N:33]3[CH2:34][CH2:35][N:30]([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[CH2:31][CH2:32]3)[CH:10]=[C:5]2[O:4][C:3]1=[O:43] | 1 |
C(C(C)(C)C)N.ClC1=CC=C(C=C1)C(N1CC(C1)=CS(=O)(=O)CC=1C=C(C(=O)O)C=CC1)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C(N1CC(C1)=CS(=O)(=O)CC=1C=C(C(=O)NCC(C)(C)C)C=CC1)C1=CC=C(C=C1)Cl | 3 |
[OH-].[K+].[CH3:3][S:4]([CH2:7][CH2:8][C:9]1[CH:10]=[CH:11][C:12]2[N:13]([N:15]=[C:16]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[C:17]=2[CH2:18][C:19]2[N:24]=[C:23]([C:25]([O:27]C)=[O:26])[CH:22]=[CH:21][CH:20]=2)[CH:14]=1)(=[O:6])=[O:5].Cl>CO>[CH3:3][S:4]([CH2:7][CH2:8][C:9]1[CH:10]=[CH:11][C:12]2[N:13]([N:15]=[C:16]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[C:17]=2[CH2:18][C:19]2[N:24]=[C:23]([C:25]([OH:27])=[O:26])[CH:22]=[CH:21][CH:20]=2)[CH:14]=1)(=[O:5])=[O:6] | 2 |
FC(C(=O)O)F.IC1=C(C(=NC=C1)OC)C=1NC2=CC(=CC=C2C1)NC>ClCCl.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(C(=O)N(C)C1=CC=C2C=C(NC2=C1)C=1C(=NC=CC1I)OC)F | 3 |
[CH2:1]([C:8]1[C:9]2[CH2:32][NH:31][CH2:30][CH2:29][C:10]=2[N:11]=[C:12]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([N:21]3[CH:25]=[C:24]([CH3:26])[N:23]=[CH:22]3)=[C:17]([O:27][CH3:28])[CH:16]=2)[N:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:33](O)(=[O:35])[CH3:34].C(O)C=O.C([BH3-])#N.[Na+]>CO>[CH2:1]([C:8]1[C:9]2[CH2:32][N:31]([CH2:34][CH2:33][OH:35])[CH2:30][CH2:29][C:10]=2[N:11]=[C:12]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([N:21]3[CH:25]=[C:24]([CH3:26])[N:23]=[CH:22]3)=[C:17]([O:27][CH3:28])[CH:16]=2)[N:13]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[CH2:1]([O:8][C:9](=[O:22])[NH:10][CH2:11][CH:12]1[CH2:17][CH:16]2[CH2:18][CH:14]([C:15]2([CH3:20])[CH3:19])[C:13]1=[CH2:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH2:23].[OH2:24].C[N+]([O-])(C)C>C(Cl)Cl.[Os](=O)(=O)(=O)=O>[CH2:1]([O:8][C:9](=[O:22])[NH:10][CH2:11][CH:12]1[CH2:17][CH:16]2[CH2:18][CH:14]([C:15]2([CH3:19])[CH3:20])[C:13]1([OH:24])[CH2:21][OH:23])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
C(#C)[Si](C)(C)C.C1(CC1)C1=C(CN2C(C(=CC3=C2N=C(N=C3)NC3=CC=C(C=C3)N3CCN(CC3)C)C#CC)=O)C(=CC=C1)F>>C1(CC1)C1=C(CN2C(C(=CC3=C2N=C(N=C3)NC3=CC=C(C=C3)N3CCN(CC3)C)C#C)=O)C(=CC=C1)F | 5 |
[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1.[CH2:12]([O:14][N:15]=[C:16]([C:20]1[C:21](=[O:41])[CH2:22][CH:23]([C:27]2[C:36]3[CH2:35][CH2:34][CH2:33][CH:32]([OH:37])[C:31]=3[C:30]([CH3:38])=[N:29][C:28]=2[O:39][CH3:40])[CH2:24][C:25]=1[OH:26])[CH2:17][CH2:18][CH3:19])[CH3:13]>ClCCl>[CH2:12]([O:14][N:15]=[C:16]([C:20]1[C:25](=[O:26])[CH2:24][CH:23]([C:27]2[C:36]3[CH2:35][CH2:34][CH2:33][C:32](=[O:37])[C:31]=3[C:30]([CH3:38])=[N:29][C:28]=2[O:39][CH3:40])[CH2:22][C:21]=1[OH:41])[CH2:17][CH2:18][CH3:19])[CH3:13] | 1 |
BrC1=C(C=CC(=C1)Cl)OCC1(CC1)C(F)(F)F.COC1=C(C=CC(=C1)OC)CNC1=CN=NC2=CC(=CC=C12)B(O)O>C([O-])([O-])=O.[Na+].[Na+].COCCOC.[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>ClC=1C=CC(=C(C1)C1=CC=C2C(=CN=NC2=C1)NCC1=C(C=C(C=C1)OC)OC)OCC1(CC1)C(F)(F)F | 3 |
OC1=C(C=O)C=C(C=C1)OC.C(C)(=O)OI(=O)(=O)([O-])OC(C)=O.C(C)[N+](CC)(CC)CC>>OC1=C(C=O)C=C(C=C1I)OC | 5 |
BrC1=C(C=C2NC(C=3N(C2=C1F)N=NN3)(C)C)F.C1(CC1)C1=CNC2=C(C=CC=C12)B1OC(C(O1)(C)C)(C)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)C1=CNC2=C(C=CC=C12)C1=C(C=C2NC(C=3N(C2=C1F)N=NN3)(C)C)F | 3 |
Cl.C12CNCC2C1.ClC=1C=C(CNC2=NC(=NC=C2C(=O)NCC2=NC=CC=N2)S(=O)C)C=CC1OC>C1CCCO1.CCN(CC)CC>C12CN(CC2C1)C1=NC=C(C(=N1)NCC1=CC(=C(C=C1)OC)Cl)C(=O)NCC1=NC=CC=N1 | 3 |
C(C)(C)(C)OC(N(C)C1=C2C(=C3C(=N1)NC(=C3)C3=NC(=CC=C3)NC(C)=O)N(C=N2)C)=O>ClCCl.C(=O)(C(F)(F)F)O>CN1C=NC=2C1=C1C(=NC2NC)NC(=C1)C1=CC=CC(=N1)NC(C)=O | 3 |
BrCCCCCC(=O)NCC1=CC=C(C=C1)C=1SC=C(N1)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CCCCCC(=O)NCC1=CC=C(C=C1)C=1SC=C(N1)C(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC | 3 |
[C:1]1([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:2]([C:7]([NH:9][C:10]2[CH:11]=[C:12]([CH:16]=[CH:17][CH:18]=2)[C:13](O)=[O:14])=[O:8])=[CH:3][CH:4]=[CH:5][CH:6]=1.[CH2:25]([O:32][C:33]1[CH:38]=[CH:37][C:36]([CH2:39][CH2:40][NH2:41])=[CH:35][CH:34]=1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)C(C)C)C>CN(C)C=O>[CH2:25]([O:32][C:33]1[CH:34]=[CH:35][C:36]([CH2:39][CH2:40][NH:41][C:13](=[O:14])[C:12]2[CH:16]=[CH:17][CH:18]=[C:10]([NH:9][C:7]([C:2]3[C:1]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=4)=[CH:6][CH:5]=[CH:4][CH:3]=3)=[O:8])[CH:11]=2)=[CH:37][CH:38]=1)[C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1 | 2 |
[OH:1][C:2]1[C:3](=[O:18])[N:4](C)[C:5]2[C:10]([C:11]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:9][CH:8]=[CH:7][CH:6]=2.[I:19]C1C=CC(N2C3C(=CC=CC=3)C(=O)C2=O)=CC=1>>[OH:1][C:2]1[C:3](=[O:18])[NH:4][C:5]2[C:10]([C:11]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:9][C:8]([I:19])=[CH:7][CH:6]=2 | 1 |
N1(CCOCC1)CCCCC(C(C#N)=NNC1=CC=CC=C1)=O>O.NN.C1CCOC1.CCOCC>N1(CCOCC1)CCCCC=1C(C(=NN1)N)=NNC1=CC=CC=C1 | 3 |
FC(CO)(F)F.BrC/1=C(NC(C\C1=N/OS(=O)(=O)C)C1=C(C=C(C=C1)Cl)F)C(=O)OCC>C([O-])([O-])=O.[K+].[K+]>NC1=C(C(=NC(=C1)C1=C(C=C(C=C1)Cl)F)C(=O)OCC)OCC(F)(F)F | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC1=NC=2C(CCCC2C(=N1)Cl)=O>ClCCl.CCN(CC)CC>ClC1=NC=2C(CCCC2C(=N1)N1CCN(CC1)C(=O)OC(C)(C)C)=O | 3 |
N#CBr.CS(=O)(=N)C(C)C=1C=CC(=NC1)C(F)(F)F>C1(=CC=NC=C1)N(C)C.ClCCl>CS(=NC#N)(C(C)C=1C=NC(=CC1)C(F)(F)F)=O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9](=O)[NH:10][C:11]3[C:19]=2[CH:18]=[C:17]2[C:13](=[C:14]([C:21]4[CH:26]=[CH:25][C:24]([Br:27])=[CH:23][CH:22]=4)[C:15](=[O:20])[NH:16]2)[CH:12]=3)=[CH:4][CH:3]=1.CN(C)C=O.[C:34](=[O:37])([O-])[O-].[K+].[K+].Br[CH2:41][CH:42]([CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48]>CO>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[C:34](=[O:37])[N:10]([CH2:9][CH:8]([CH2:5][CH2:4][CH2:3][CH2:2][CH2:7][CH3:6])[CH2:19][CH2:18][CH2:17][CH2:13][CH2:14][CH2:21][CH2:22][CH3:23])[C:11]3[C:19]=2[CH:18]=[C:17]2[C:13](=[C:14]([C:21]4[CH:22]=[CH:23][C:24]([Br:27])=[CH:25][CH:26]=4)[C:15](=[O:20])[N:16]2[CH2:41][CH:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[CH:12]=3)=[CH:6][CH:7]=1 | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][N:11]3[C:20]([C:21](O)=[O:22])=[C:19]([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[C:18]4[C:13](=[CH:14][CH:15]=[C:16]([Br:30])[CH:17]=4)[C:12]3=[O:31])=[CH:9][C:4]=2[O:3][CH2:2]1.C(Cl)(=O)C([Cl:35])=O>C1COCC1.CN(C=O)C>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([CH2:10][N:11]3[C:20]([C:21]([Cl:35])=[O:22])=[C:19]([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[C:18]4[C:13](=[CH:14][CH:15]=[C:16]([Br:30])[CH:17]=4)[C:12]3=[O:31])=[CH:9][C:4]=2[O:3][CH2:2]1 | 1 |
N1CCC(CC1)NC(OC(C)(C)C)=O.FC=1C=C(CBr)C=C(C1)F>ClCCl.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC>FC=1C=C(CN2CCC(CC2)N)C=C(C1)F | 3 |
C(CC(C)C)N.C1(CCC1)COC1=C(N=CC(=N1)C(=O)O)N1CCCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>CC(CCNC(=O)C1=NC(=C(N=C1)N1CCCC1)OCC1CCC1)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:12])[CH:9]([F:11])[F:10])=[CH:4][CH:3]=1.[CH3:13][Mg]Cl>C1COCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([OH:12])([CH3:13])[CH:9]([F:11])[F:10])=[CH:6][CH:7]=1 | 1 |
C(OOC(C)(C)C)(C)(C)C.[Br:11][CH2:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1Br>>[Br:11][CH:12]=[CH:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
ClC1=CC=C(C=C1)NC(=O)NCC1=CC(=CC=C1)C1(OCCO1)C>>C(C)(=O)C=1C=C(CNC(=O)NC2=CC=C(C=C2)Cl)C=CC1 | 5 |
C(C1=CC=CC=C1)OCC1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)OCC1CCNCC1 | 3 |
[N+](=O)([O-])C1=C(C=CC=C1)NC(C=C)=O.N1CC(C1)C=1SC=2N=CN=C(C2N1)NCC1=NC=CC=C1F>CC#N.CCN(CC)CC.[Fe]>N1C(=NC2=C1C=CC=C2)CCN2CC(C2)C=2SC=1N=CN=C(C1N2)NCC2=NC=CC=C2F | 3 |
CO.[Cl:3][CH2:4][CH2:5][CH2:6][Si:7]([O:12][CH3:13])([O:10][CH3:11])[O:8][CH3:9].[CH2:14]([N:16]([CH2:19][CH3:20])[CH2:17][CH3:18])[CH3:15]>C(O)(C)C>[Cl-:3].[CH3:9][O:8][Si:7]([CH2:6][CH2:5][CH2:4][N+:16]([CH2:19][CH3:20])([CH2:17][CH3:18])[CH2:14][CH3:15])([O:12][CH3:13])[O:10][CH3:11] | 1 |
C(O[C:6]([N:8](C(OC(C)(C)C)=O)[C:9](=[O:41])[C:10]1[CH:15]=[C:14]([N:16]2[CH2:20][CH2:19][CH2:18][S:17]2(=[O:22])=[O:21])[CH:13]=[CH:12][C:11]=1[C:23]([N:25]1[CH2:30][CH2:29][N:28]([C:31]2[C:36]([CH3:37])=[CH:35][C:34]([CH:38]3[CH2:40][CH2:39]3)=[CH:33][N:32]=2)[CH2:27][CH2:26]1)=[O:24])=O)(C)(C)C.N1C[CH2:52][CH2:51][CH2:50]1>>[CH:38]1([C:34]2[CH:35]=[C:36]([CH3:37])[C:31]([N:28]3[CH2:27][CH2:26][N:25]([C:23]([C:11]4[CH:12]=[CH:13][C:14]([N:16]5[CH2:20][CH2:19][CH2:18][S:17]5(=[O:22])=[O:21])=[CH:15][C:10]=4[C:9]([N:8]4[CH2:52][CH2:51][CH2:50][CH2:6]4)=[O:41])=[O:24])[CH2:30][CH2:29]3)=[N:32][CH:33]=2)[CH2:40][CH2:39]1 | 1 |
[CH2:1]([C:3](=[CH:17][CH2:18][CH:19]1[CH2:23][CH:22]=[C:21]([CH3:24])[C:20]1([CH3:26])[CH3:25])[CH2:4][O:5][C:6](=[O:16])[CH:7]=[CH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[OH:15])[CH3:2].C(OC(=O)C=CC1C=CC=CC=1O)C>>[CH2:1]([C:3](=[CH:17][CH2:18][CH:19]1[CH2:23][CH:22]=[C:21]([CH3:24])[C:20]1([CH3:25])[CH3:26])[CH2:4][O:5][C:6](=[O:16])/[CH:7]=[CH:8]/[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[OH:15])[CH3:2] | 1 |
[Br:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[NH:13][S:14]([C:17]2[CH:25]=[CH:24][C:20]([C:21]([OH:23])=O)=[CH:19][CH:18]=2)(=[O:16])=[O:15])=[C:4]([Cl:28])[CH:3]=1.[N:29]1[CH:34]=[CH:33][CH:32]=[N:31][C:30]=1[N:35]1[CH2:40][CH2:39][N:38]([CH2:41][CH2:42][NH2:43])[CH2:37][CH2:36]1>>[Br:1][C:2]1[CH:27]=[CH:26][C:5]([O:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[NH:13][S:14]([C:17]2[CH:18]=[CH:19][C:20]([C:21]([NH:43][CH2:42][CH2:41][N:38]3[CH2:37][CH2:36][N:35]([C:30]4[N:29]=[CH:34][CH:33]=[CH:32][N:31]=4)[CH2:40][CH2:39]3)=[O:23])=[CH:24][CH:25]=2)(=[O:15])=[O:16])=[C:4]([Cl:28])[CH:3]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[C:9]([O:13][CH3:14])[C:10]=1[O:11][CH3:12])[CH:6]=O.C(O)(=O)[CH2:16][C:17]([OH:19])=[O:18].N1CCCCC1.Cl>C(O)(=O)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[C:9]([O:13][CH3:14])[C:10]=1[O:11][CH3:12])[CH:6]=[CH:16][C:17]([OH:19])=[O:18] | 1 |
N12CC(C(CC1)CC2)O.C(C)OC(CCCCCN1C[C@@H](OCC1)CNC(C1=C(C=C(C(=C1)Cl)N)OC)=O)=O>C1(=CC=CC=C1)C.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>NC1=CC(=C(C(=O)NC[C@@H]2OCCN(C2)CCCCCC(=O)O[C@H]2CN3CCC2CC3)C=C1Cl)OC | 3 |
C(C)(C)(C)OC(=O)N1C(CN(CC1)C=1C2=C(N=C(N1)C1=CC=NC=C1)C=NC=C2OC)C(NC2=CC=CC=C2)=O>ClCCl.C(=O)(C(F)(F)F)O>C1(=CC=CC=C1)NC(=O)C1NCCN(C1)C=1C2=C(N=C(N1)C1=CC=NC=C1)C=NC=C2OC | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([O:14][Si](C(C)(C)C)(C)C)=[C:10]([F:22])[CH:9]=2)=[CH:4][CH:3]=1.C([Si:28]1([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37]C=2)[CH2:33][CH2:32][C:31](=O)[CH2:30][CH2:29]1)CCCC.Br[CH2:42][C:43]([F:48])([F:47])[CH:44]([F:46])[F:45]>>[CH2:35]([Si@H:28]1[CH2:29][CH2:30][C@H:31]([C:2]2[CH:3]=[CH:4][C:5]([C:8]3[CH:13]=[CH:12][C:11]([O:14][CH2:42][C:43]([F:48])([F:47])[CH:44]([F:46])[F:45])=[C:10]([F:22])[CH:9]=3)=[CH:6][CH:7]=2)[CH2:32][CH2:33]1)[CH2:40][CH2:39][CH2:38][CH3:37] | 1 |
FC(C=1C=C(C=CC1F)C1=CC=NC=C1)F>>FC(C=1C=C(C=CC1F)C1CCNCC1)F | 5 |
ClCC(C)=O.C(N)(O[C@@H](C(=S)N)C(C1=CNC2=CC=CC=C12)C(C)(C)C)=O>>C(N)(O[C@H](C(C1=CNC2=CC=CC=C12)C(C)(C)C)C=1SCC(N1)(C)O)=O | 5 |
FC(C1=CC2=C(NC(=N2)C2=CC=C(C=C2)S(=O)(=O)C2C(N(CCCC2)OC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C1)(F)F>ClCCl.C(=O)(C(F)(F)F)O>ON1C(C(CCCC1)S(=O)(=O)C1=CC=C(C=C1)C1=NC2=C(N1)C=CC(=C2)C(F)(F)F)=O | 3 |
[CH2:1]([S:8][C:9]1[N:14]=[C:13]([N:15]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[S:16]([CH3:19])(=[O:18])=[O:17])[CH:12]=[C:11](Cl)[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:29][C@@H:30]([CH2:32][OH:33])[CH3:31]>CN1C(=O)CCC1>[CH2:1]([S:8][C:9]1[N:14]=[C:13]([N:15]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[S:16]([CH3:19])(=[O:18])=[O:17])[CH:12]=[C:11]([NH:29][C@H:30]([CH3:31])[CH2:32][OH:33])[N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH:1]1([CH2:7][N:8](C)[C:9](=O)OC(C)(C)C)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[ClH:17].C(OCC)(=O)C>C(OCC)(=O)C>[ClH:17].[CH:1]1([CH2:7][NH:8][CH3:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
OC1=NC2=CC=CC=C2C=C1.C(C=1OC=C(N1)C(=O)O)([2H])([2H])[2H]>[Cu]=O>C(C=1OC=CN1)([2H])[2H] | 3 |
CC=1NC=C(C1)C.ClC1=C(C(=O)Cl)C=CC=N1>ClCCl.[Al](Cl)(Cl)Cl>ClC1=NC=CC=C1C(=O)C=1NC(=CC1C)C | 3 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][N:10]2[C:19]3[C:14](=[C:15]([F:21])[CH:16]=[C:17]([F:20])[CH:18]=3)[CH:13]=[CH:12][C:11]2=[O:22])[CH2:4][CH2:3]1.[N:23]1([C:29]2[CH:37]=[CH:36][C:32]([C:33](O)=[O:34])=[CH:31][N:30]=2)[CH2:28][CH2:27][O:26][CH2:25][CH2:24]1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>>[F:21][C:15]1[CH:16]=[C:17]([F:20])[CH:18]=[C:19]2[C:14]=1[CH:13]=[CH:12][C:11](=[O:22])[N:10]2[CH2:9][CH2:8][N:5]1[CH2:4][CH2:3][CH:2]([NH:1][C:33](=[O:34])[C:32]2[CH:36]=[CH:37][C:29]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)=[N:30][CH:31]=2)[CH2:7][CH2:6]1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([OH:12])=[O:11])[CH:5]=[CH:6][C:7]=1[F:8].S(=O)(=O)(O)O.[CH2:18](O)[CH3:19]>>[CH2:18]([O:11][C:10](=[O:12])[CH2:9][C:4]1[CH:5]=[CH:6][C:7]([F:8])=[C:2]([Br:1])[CH:3]=1)[CH3:19] | 1 |
[NH:1]([C:5]1[C:6]([CH3:20])=[C:7]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:8]=[C:9]([CH3:11])[CH:10]=1)[C:2]([CH3:4])=[O:3].CC1C([N+:28]([O-])=O)=CC(C)=CC=1O>>[C:2]([N:1]1[C:5]2[C:6](=[C:7]([O:12][CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH:8]=[C:9]([CH3:11])[CH:10]=2)[CH:20]=[N:28]1)(=[O:3])[CH3:4] | 1 |
[OH:1][CH2:2][C:3]1[O:7][N:6]=[C:5]([C:8]2[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=2)[CH:4]=1.Br[CH2:16][CH2:17][Cl:18].[NH:19]1[CH:23]=[CH:22][N:21]=[CH:20]1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[Cl:18][CH2:17][CH2:16][O:14][C:11]1[CH:12]=[CH:13][C:8]([C:5]2[CH:4]=[C:3]([CH2:2][OH:1])[O:7][N:6]=2)=[CH:9][CH:10]=1.[N:19]1([CH2:16][CH2:17][O:14][C:11]2[CH:12]=[CH:13][C:8]([C:5]3[CH:4]=[C:3]([CH2:2][OH:1])[O:7][N:6]=3)=[CH:9][CH:10]=2)[CH:23]=[CH:22][N:21]=[CH:20]1 | 1 |
C(C)(C)C1=CC=C(C=C1)CC(=O)O.Cl.COC=1C=CC(=NC1)[C@@H](C)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C(C)(C)C1=CC=C(C=C1)CC(=O)N[C@H](C)C1=NC=C(C=C1)OC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:42]=[CH:43][CH:44]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10]C(OCCOS(C3C=CC(C)=CC=3)(=O)=O)=C[CH:13]=2)[C:8]([S:29]([C:32]2[C:41]3[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=3)[CH:35]=[CH:34][CH:33]=2)(=[O:31])=[O:30])=[N:7]1.[CH2:45]([NH:47][CH2:48][CH3:49])[CH3:46].[CH2:50]1[CH2:54][O:53][CH2:52][CH2:51]1>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:42]=[CH:43][CH:44]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:52]([O:53][CH2:54][CH2:50][N:47]([CH2:48][CH3:49])[CH2:45][CH3:46])=[CH:51][CH:13]=2)[C:8]([S:29]([C:32]2[C:41]3[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=3)[CH:35]=[CH:34][CH:33]=2)(=[O:31])=[O:30])=[N:7]1 | 1 |
[NH:1]1[C:5]([CH2:6][CH2:7][C:8]2[N:9]([C:21]3[CH:29]=[CH:28][C:24]([C:25](O)=[O:26])=[CH:23][C:22]=3[CH3:30])[C:10]([C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)=[CH:11][CH:12]=2)=[N:4][N:3]=[N:2]1.C1N=C[N:33](C(N2C=NC=C2)=O)C=1.O.[NH4+]>C1COCC1>[NH:4]1[C:5]([CH2:6][CH2:7][C:8]2[N:9]([C:21]3[CH:29]=[CH:28][C:24]([C:25]([NH2:33])=[O:26])=[CH:23][C:22]=3[CH3:30])[C:10]([C:13]3[CH:14]=[CH:15][C:16]([O:19][CH3:20])=[CH:17][CH:18]=3)=[CH:11][CH:12]=2)=[N:1][N:2]=[N:3]1 | 1 |
[NH2:1][C:2](=[S:25])[CH2:3][CH2:4][C@@H:5]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21])[CH2:6][C:7]1[CH:8]=[N:9][C:10]([C:13]([F:16])([F:15])[F:14])=[CH:11][CH:12]=1.[Cl:26][CH2:27][C:28]([CH2:30]Cl)=O>CO>[Cl:26][CH2:27][C:28]1[N:1]=[C:2]([CH2:3][CH2:4][C@@H:5]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:6][C:7]2[CH:8]=[N:9][C:10]([C:13]([F:16])([F:15])[F:14])=[CH:11][CH:12]=2)[S:25][CH:30]=1 | 2 |
[CH:1]([NH:4][C:5]1[N:6]=[N:7][C:8]([C:11]#[CH:12])=[CH:9][CH:10]=1)([CH3:3])[CH3:2].[Cl:13][C:14]1[CH:38]=[CH:37][C:17]([C:18]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH:31]=[C:30]([CH3:32])[N:29]=[CH:28]3)=[C:23]([C:33]([F:36])([F:35])[F:34])[CH:22]=2)=[O:19])=[CH:16][C:15]=1I>>[Cl:13][C:14]1[CH:15]=[CH:16][C:17]([C:18]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH:31]=[C:30]([CH3:32])[N:29]=[CH:28]3)=[C:23]([C:33]([F:35])([F:34])[F:36])[CH:22]=2)=[O:19])=[CH:37][C:38]=1[C:12]#[C:11][C:8]1[N:7]=[N:6][C:5]([NH:4][CH:1]([CH3:3])[CH3:2])=[CH:10][CH:9]=1 | 1 |
C(C)(=O)OCC1=C(C=CC=C1B1OC(C(O1)(C)C)(C)C)N1C(C=2N(C=3CCCCC3C2)CC1)=O.BrC1=CN(C(C(=N1)NC=1C=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)=O)C>ClCCl.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(=O)OCC1=C(C=CC=C1N1C(C=2N(C=3CCCCC3C2)CC1)=O)C1=CN(C(C(=N1)NC=1C=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)=O)C | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[N:7][CH:6]=[CH:5]2.C(=O)([O-])O.[Na+].S(Cl)([Cl:20])(=O)=O>>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[N:7][CH:6]=[C:5]2[Cl:20] | 2 |
[C:1]([O:5][C:6]([N:8]([C:16]1[C:21]([CH3:23])([CH3:22])[S:20](=[O:25])(=[O:24])[CH2:19][C@:18]([C:27]2[CH:32]=[C:31]([N+:33]([O-:35])=[O:34])[CH:30]=[CH:29][C:28]=2F)([CH3:26])[N:17]=1)C(=O)OC(C)(C)C)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[CH3:47][C@H:48]1[CH2:50][O:49]1.[NH4+].[Cl-]>C1COCC1.CC(O)(C)C.CC(C)([O-])C.[K+]>[CH3:23][C:21]1([CH3:22])[S:20](=[O:25])(=[O:24])[C@@H:19]2[CH2:47][C@H:48]([CH3:50])[O:49][C:28]3[CH:29]=[CH:30][C:31]([N+:33]([O-:35])=[O:34])=[CH:32][C:27]=3[C@@:18]2([CH3:26])[N:17]=[C:16]1[NH:8][C:6](=[O:7])[O:5][C:1]([CH3:3])([CH3:4])[CH3:2].[CH3:23][C:21]1([CH3:22])[S:20](=[O:25])(=[O:24])[C@H:19]2[CH2:47][C@H:48]([CH3:50])[O:49][C:28]3[CH:29]=[CH:30][C:31]([N+:33]([O-:35])=[O:34])=[CH:32][C:27]=3[C@@:18]2([CH3:26])[N:17]=[C:16]1[NH:8][C:6](=[O:7])[O:5][C:1]([CH3:3])([CH3:4])[CH3:2] | 1 |
NC1=NN=NN1C.ClC1=C(C(=O)[O-])C=CC(=C1SC)OC(F)F>>ClC1=C(C(=O)NC2=NN=NN2C)C=CC(=C1SC)OC(F)F | 5 |
[Br-].[C:2]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[CH:7][CH:6]=1)([OH:4])=[O:3].[CH2:32]([O:39][C:40]1[C:45]([CH:46]=O)=[CH:44][CH:43]=[CH:42][N:41]=1)[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>C1COCC1>[CH2:32]([O:39][C:40]1[C:45]([CH:46]=[CH:12][CH2:11][C:8]2[CH:7]=[CH:6][C:5]([C:2]([OH:4])=[O:3])=[CH:10][CH:9]=2)=[CH:44][CH:43]=[CH:42][N:41]=1)[C:33]1[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=1 | 1 |
Br[CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([N+:12]([O-:14])=[O:13])=[CH:8][CH:7]=1.Cl.[CH3:16][O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH3:29])[CH2:24][NH:23][CH2:22][CH2:21]2.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[CH3:16][O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH3:29])[CH2:24][N:23]([CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([N+:12]([O-:14])=[O:13])=[CH:8][CH:7]=1)[CH2:22][CH2:21]2 | 1 |
[CH2:1]([N:8]1[CH:12]=[C:11]([C:13](OCC)=[O:14])[C:10]([O:18][CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH2:27][C:28]3[N:29]=[C:30]([C:34]4[O:35][CH:36]=[CH:37][CH:38]=4)[O:31][C:32]=3[CH3:33])=[C:22]([CH2:39][CH3:40])[CH:21]=2)=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.O.O.O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Na+].[Na+]>O1CCCC1.C(OCC)(=O)C>[CH2:1]([N:8]1[CH:12]=[C:11]([CH2:13][OH:14])[C:10]([O:18][CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH2:27][C:28]3[N:29]=[C:30]([C:34]4[O:35][CH:36]=[CH:37][CH:38]=4)[O:31][C:32]=3[CH3:33])=[C:22]([CH2:39][CH3:40])[CH:21]=2)=[N:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[F:1][C:2]1[CH:9]=[C:8](F)[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]=1[C:4]#[N:5].[OH-].[NH4+:15]>>[NH2:15][C:8]1[C:7]([N+:11]([O-:13])=[O:12])=[CH:6][C:3]([C:4]#[N:5])=[C:2]([F:1])[CH:9]=1 | 1 |
ClC=1C(=CC(=NC1)N1CCC(CC1)CO)NC1=CC=2C3=C(C(N(C2C=C1)C)=O)OCC([C@@H](N3)C3CC3)(F)F>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>ClC=1C(=CC(=NC1)N1CCC(CC1)C=O)NC1=CC=2C3=C(C(N(C2C=C1)C)=O)OCC([C@@H](N3)C3CC3)(F)F | 3 |
N(=[N+]=[N-])\C(\C(=O)OC)=C/C1=C(C(=C(C=C1)OC)F)Cl>CC1=CC=C(C)C=C1>ClC1=C2C=C(NC2=CC(=C1F)OC)C(=O)OC | 3 |
FC(F)(F)S(O[C:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][C:8]=1[C:20]([O:22][CH3:23])=[O:21])(=O)=O.[F:26][C:27]([F:39])([F:38])[O:28][C:29]1[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][CH:30]=1.C1(C)C=CC=CC=1.C([O-])([O-])=O.[Na+].[Na+]>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.C(O)C>[F:26][C:27]([F:38])([F:39])[O:28][C:29]1[CH:34]=[CH:33][C:32]([C:7]2[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:14])[CH2:9][C:8]=2[C:20]([O:22][CH3:23])=[O:21])=[CH:31][CH:30]=1 | 1 |
[OH:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:4]([C:5]([OH:7])=[O:6])[C:3]=1[NH2:11].[Cl:12][C:13]1[CH:21]=[CH:20][C:16]([C:17](Cl)=[O:18])=[CH:15][CH:14]=1.[CH3:22]CN(C(C)C)C(C)C.CI>CN(C=O)C.C(OCC)(=O)C.Cl>[Cl:12][C:13]1[CH:21]=[CH:20][C:16]([C:17]2[O:1][C:2]3[C:3](=[C:4]([C:5]([OH:7])=[O:6])[CH:8]=[CH:9][CH:10]=3)[N:11]=2)=[CH:15][CH:14]=1.[Cl:12][C:13]1[CH:21]=[CH:20][C:16]([C:17]2[O:18][C:2]3[C:3](=[C:4]([C:5]([O:7][CH3:22])=[O:6])[CH:8]=[CH:9][CH:10]=3)[N:11]=2)=[CH:15][CH:14]=1 | 1 |
[F:1][C:2]([F:26])([F:25])[C:3]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:4]=1[CH2:5][O:6][C:7]1[CH:8]=[C:9]([CH:12]=[CH:13][C:14]=1[O:15][CH3:16])[CH:10]=O.[CH3:27][NH:28][C:29]1[CH2:33][S:32][C:31](=[O:34])[N:30]=1.CC(C)([O-])C.[K+].[Cl-].[NH4+]>C(O)C.C(OCC)(=O)C>[F:1][C:2]([F:25])([F:26])[C:3]1[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[CH:17][C:4]=1[CH2:5][O:6][C:7]1[CH:8]=[C:9](/[CH:10]=[C:33]2/[C:29]([NH:28][CH3:27])=[N:30][C:31](=[O:34])[S:32]/2)[CH:12]=[CH:13][C:14]=1[O:15][CH3:16] | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([F:23])[CH:21]=3)[C:16]([C:24]3[N:25]=[C:26]4[C:32]([CH:33]=[O:34])=[CH:31][N:30]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:42])([CH3:41])[CH3:40])[C:27]4=[N:28][CH:29]=3)=[N:15]2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].S(=O)(=O)([OH:45])N.Cl([O-])=O.[Na+].P([O-])(O)(O)=O.[K+]>C1COCC1.O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([F:23])[CH:21]=3)[C:16]([C:24]3[N:25]=[C:26]4[C:32]([C:33]([OH:45])=[O:34])=[CH:31][N:30]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:42])([CH3:41])[CH3:40])[C:27]4=[N:28][CH:29]=3)=[N:15]2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
[F:1][C@H:2]1[CH2:6][N:5](C(OC(C)(C)C)=O)[C@H:4]([C:14]([O:16]C)=O)[CH2:3]1.F[C@H]1C[N:22](C(OC(C)(C)C)=O)[C@H:21]([C:31](=O)[NH:32][C:33]2[CH:38]=NC=CN=2)[CH2:20]1.[F:40][C@H]1CN[C@H](C(NC2C=NC=CN=2)=O)C1>>[F:1][C@H:2]1[CH2:6][NH:5][C@H:4]([C:14]([NH:22][C:21]2[CH:31]=[N:32][C:33]([F:40])=[CH:38][CH:20]=2)=[O:16])[CH2:3]1 | 1 |
COC1=C2C(=NC(=N1)OC)N(N=C2CO)C(CC(F)(F)F)C2=CC=C(C=C2)C(F)(F)F>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>COC1=C2C(=NC(=N1)OC)N(N=C2C=O)C(CC(F)(F)F)C2=CC=C(C=C2)C(F)(F)F | 3 |
[Br-].C[Mg+].FC(OC=1C=C(C#N)C=CC1)F>C1CCCO1.CO[H].[Na+].[BH4-].CC1OCCC1>Cl.FC(OC=1C=C(C=CC1)C(C)N)F | 3 |
BrC=1SC=C(N1)Cl.C(#N)C=1C=C(C=CC1)C=1N(C=C2N(C(N(C(C21)=O)C)=O)C)CCCC(=O)N(C)OC>>ClC=1N=C(SC1)C(CCCN1C=C2N(C(N(C(C2=C1C=1C=C(C#N)C=CC1)=O)C)=O)C)=O | 5 |
CI.C(=O)NN1C=C(C(C2=CC=C(N=C12)C)=O)C(=O)OCC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(=O)CNN1C=C(C(C2=CC=C(N=C12)C)=O)C(=O)OCC | 3 |
Cl.C(C)OC(C[C@@H]1CC[C@H](CC1)N)=O.BrCCOCCBr>CC#N.C([O-])([O-])=O.[K+].[K+]>O1CCN(CC1)[C@@H]1CC[C@H](CC1)CC(=O)OCC | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([C:11]([NH2:13])=[O:12])[CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:14]1[CH2:19][CH2:18][N:17]([S:20]([CH2:23][CH3:24])(=[O:22])=[O:21])[CH2:16][CH2:15]1.CC1(C)C(C)(C)OB([C:33]2[CH:34]=[C:35]([CH:38]=[O:39])[S:36][CH:37]=2)O1.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.O>[CH2:23]([S:20]([N:17]1[CH2:18][CH2:19][CH:14]([C:5]2[C:4]3[C:8](=[C:9]([C:11]([NH2:13])=[O:12])[CH:10]=[C:2]([C:33]4[CH:34]=[C:35]([CH:38]=[O:39])[S:36][CH:37]=4)[CH:3]=3)[NH:7][CH:6]=2)[CH2:15][CH2:16]1)(=[O:22])=[O:21])[CH3:24] | 1 |
[CH3:1][N:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[CH:10]=[C:11]([C:15]3[C:16]([C:21]#[N:22])=[CH:17][CH:18]=[CH:19][CH:20]=3)[CH:12]=[CH:13][CH:14]=2)=[C:4]([N+:23]([O-])=O)[C:3]1=[O:26]>C(OCC)(=O)C.C(O)C.[Pt]=O>[NH2:23][C:4]1[C:3](=[O:26])[N:2]([CH3:1])[CH:7]=[CH:6][C:5]=1[NH:8][C:9]1[CH:10]=[C:11]([C:15]2[C:16]([C:21]#[N:22])=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH:12]=[CH:13][CH:14]=1 | 1 |
IC=1C=NC=CC1C.FC(OC1=CC=C2CCNC(C2=C1)=O)(F)F>>CC1=C(C=NC=C1)N1C(C2=CC(=CC=C2CC1)OC(F)(F)F)=O | 5 |
COC(=O)C=1C=NN(C1C1CC1)C1=CC(=CC=C1)C1CC(CCC1)C(=O)N1C(CCCC1)CCC.N1CCCC12CCCCC2>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC(=O)C=1C=NN(C1C1CC1)C1=CC(=CC=C1)C1CC(CCC1)C(=O)N1CCCC12CCCCC2 | 3 |
Br.BrC1=C(C=NC=C1)C(F)(F)F.NC=1C=C(C(=NC1N(C)C)O)C1=C(C=CC(=C1)Cl)F>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].C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=CC(=C(C1)C=1C(NC(=C(C1)NC1=C(C=NC=C1)C(F)(F)F)N(C)C)=O)F | 3 |
FC1=C2C=CC=NC2=C(C=C1)N1CCC(CC1)=O.FC=1C=CC2=C(C(=CO2)N2CCNCC2)C1>>FC1=C2C=CC=NC2=C(C=C1)N1CCC(CC1)N1CCN(CC1)C1=COC2=C1C=C(C=C2)F | 5 |
CC1(OB(OC1(C)C)C=1C=C2CNC(C2=CC1)=O)C.N1(CCOCC1)C1=CC=C(C=C1)NC=1C=2N(C(=CN1)C=1C=C3CNC(C3=CC1)=O)C=CN2.BrC1=CN=C(C=2N1C=CN2)NC2=CC=C(C=C2)N2CCN(CC2)C(C)C>>C(C)(C)N1CCN(CC1)C1=CC=C(C=C1)NC=1C=2N(C(=CN1)C=1C=C3CNC(C3=CC1)=O)C=CN2 | 5 |
[C:1]([N:9]=C=O)(=[O:8])C1C=CC=CC=1.C(O[C:15]([C:17]1[O:32][C:20]2=[N:21][C:22]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)=[CH:23][C:24]([CH3:25])=[C:19]2[C:18]=1[NH2:33])=[O:16])C.CC[O-].[Na+].C(O)C>CC(C)=O.O>[CH3:25][C:24]1[C:19]2[C:18]3[NH:33][C:1](=[O:8])[NH:9][C:15](=[O:16])[C:17]=3[O:32][C:20]=2[N:21]=[C:22]([C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)[CH:23]=1 | 1 |
C1(CC1)C1=C(C(=NO1)C1=NN(C2=NC=NC(=C21)N)C(C)C)C2=CCC1(OCCO1)CC2>CO[H].Cl.C(O)([O-])=O.[Na+]>NC1=C2C(=NC=N1)N(N=C2C2=NOC(=C2C2=CCC(CC2)=O)C2CC2)C(C)C | 3 |
[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([N+:9]([O-])=O)[CH:4]=1>CO.[Pd]>[CH3:1][N:2]([CH3:12])[C:3]1[CH:4]=[C:5]([NH2:9])[CH:6]=[CH:7][CH:8]=1 | 1 |
[CH3:1][N:2]([CH2:4][C:5]1[O:9][C:8]([CH2:10][S:11][CH2:12][CH2:13][NH2:14])=[CH:7][CH:6]=1)[CH3:3].CO[C:17]1[C:21](OC)=[N:20][S:19](=[O:25])(=[O:24])[N:18]=1.[NH2:26][NH2:27]>CO>[CH3:3][N:2]([CH2:4][C:5]1[O:9][C:8]([CH2:10][S:11][CH2:12][CH2:13][NH:14][C:17]2[C:21]([NH:26][NH2:27])=[N:20][S:19](=[O:25])(=[O:24])[N:18]=2)=[CH:7][CH:6]=1)[CH3:1] | 1 |
COC(=O)C=1C=NN(C1C1CC1)C1=CC(=CC=C1)C1=C(C(=CC=C1)C(=O)N1C2CCCC1CCC2)F>O.C1CCCO1.CO[H].[OH-].[Li+]>C1CCCC12CN(CCC2)C(=O)C=2C(=C(C=CC2)C=2C=C(C=CC2)N2N=CC(=C2C2CC2)C(=O)O)F | 3 |
[N+](=O)([O-])C.ClC=1C=C(C=CC1C#N)NC(\C=C\C(C)C)=O>>ClC=1C=C(C=CC1C#N)NC(CC(C(C)C)C[N+](=O)[O-])=O | 5 |
Cl[C:2]1[CH:10]=[CH:9][C:8]2[CH2:7][CH:6]([CH2:11][N:12]3[C:17]4=[N:18][C:19]([C:23]5[CH:28]=[CH:27][N:26]=[CH:25][CH:24]=5)=[CH:20][C:21](=[O:22])[N:16]4[CH2:15][C:14]([CH3:30])([CH3:29])[CH2:13]3)[CH2:5][C:4]=2[N:3]=1.C(=O)([O-])[O-].[Na+].[Na+].[N:37]1[CH:42]=[CH:41][C:40](B(O)O)=[CH:39][CH:38]=1.O>C1(C)C=CC=CC=1.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>[CH3:29][C:14]1([CH3:30])[CH2:15][N:16]2[C:21](=[O:22])[CH:20]=[C:19]([C:23]3[CH:28]=[CH:27][N:26]=[CH:25][CH:24]=3)[N:18]=[C:17]2[N:12]([CH2:11][CH:6]2[CH2:5][C:4]3[N:3]=[C:2]([C:38]4[CH:39]=[CH:40][CH:41]=[CH:42][N:37]=4)[CH:10]=[CH:9][C:8]=3[CH2:7]2)[CH2:13]1 | 2 |
C([O:4][CH2:5][CH2:6][O:7][CH2:8][N:9]1[CH:17]=[C:15]([CH3:16])[C:13](=[O:14])[NH:12][C:10]1=[O:11])(=O)C.O(C)[Na].Cl>CO>[OH:4][CH2:5][CH2:6][O:7][CH2:8][N:9]1[CH:17]=[C:15]([CH3:16])[C:13](=[O:14])[NH:12][C:10]1=[O:11] | 1 |
I[C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=1.[C:12]([O-])([O-])=O.[K+].[K+].[CH3:18][C:19]([O-])=O.[K+].[C:23]([O:27][CH3:28])(=[O:26])[CH:24]=[CH2:25].I[CH2:30][CH2:31][CH3:32].[O-]S([O-])(=S)=O.[Na+].[Na+]>CN(C=O)C.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:28][O:27][C:23](=[O:26])[CH:24]=[CH:25][C:2]1[C:7]([CH2:30][CH2:31][CH3:32])=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][C:3]=1[CH2:12][CH2:19][CH3:18] | 2 |
C(C)(C)(C)OC(=O)N1CCC2(CCN(C2=O)CC2=CC=C(C=C2)Br)CC1>Cl>Cl.BrC1=CC=C(CN2C(C3(CC2)CCNCC3)=O)C=C1 | 3 |
O1CCCC=C1.COC1=C(C=CC=C1)O>>COC1=C(OC2OCCCC2)C=CC=C1 | 5 |
[ClH:1].[NH2:2][CH2:3][CH:4]([OH:9])[CH2:5][C:6]([OH:8])=[O:7].[CH3:10]O>>[Cl-:1].[OH:9][CH:4]([CH2:5][C:6]([O:8][CH3:10])=[O:7])[CH2:3][NH3+:2] | 1 |
C(C)(=O)OC(C)(C)C.O[C@H](C(=O)OC)C=1C(=C2C(=NC1C)N(C=C2)C)I>>C(C)(C)(C)O[C@H](C(=O)OC)C=1C(=C2C(=NC1C)N(C=C2)C)I | 5 |
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