smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC1=NC(=CC=C1C=O)NCC1=CC=C(C=C1)OC>>C(C)(C)(C)OC(N(CC1=CC=C(C=C1)OC)C1=NC(=C(C=C1)C=O)F)=O | 5 |
N1CCC(CC1)NC(=O)NC1=CC=C(C=C1)F>>C(C)(=O)N1CCC(CC1)NC(=O)NC1=CC=C(C=C1)F | 5 |
[Cl:1][C:2]1[CH:41]=[CH:40][C:5]([CH2:6][NH:7][S:8](/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][C:16]2[N:17]=[CH:18][N:19](C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[CH:20]=2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.C(O)C.[NH3:45]>C1COCC1>[NH2:45][CH:12]([CH2:13][CH2:14][CH2:15][C:16]1[N:17]=[CH:18][NH:19][CH:20]=1)[CH2:11][S:8]([NH:7][CH2:6][C:5]1[CH:40]=[CH:41][C:2]([Cl:1])=[CH:3][CH:4]=1)(=[O:10])=[O:9] | 1 |
[C:1]([O:5][C:6]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][OH:14])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:15][O:16][C:17](=[O:28])[C:18]1[CH:23]=[C:22]([Cl:24])[C:21](O)=[C:20]([Cl:26])[C:19]=1[OH:27].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1>[CH3:15][O:16][C:17](=[O:28])[C:18]1[CH:23]=[C:22]([Cl:24])[C:21]([O:14][CH2:13][CH2:12][CH2:11][CH2:10][NH:9][CH2:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])=[C:20]([Cl:26])[C:19]=1[OH:27] | 1 |
O=C(CC1=CC=C(C(=O)OC)C=C1)NC=1C=CC=C2C=CC=NC12>>O=C(CC1=CC=C(C(=O)O)C=C1)NC=1C=CC=C2C=CC=NC12 | 5 |
[CH:1]1[C:6]([CH:7]=[O:8])=[CH:5][C:4]2[O:9][CH2:10][O:11][C:3]=2[CH:2]=1.O[C:13]1[CH:18]=[CH:17][C:16]([O:19][CH:20]([CH3:22])[CH3:21])=[CH:15][C:14]=1[C:23](=[O:29])[CH2:24][C:25]([O:27][CH3:28])=[O:26].N1CCCCC1.C(O)(=O)C>C1(C)C=CC=CC=1>[O:11]1[C:3]2[CH:2]=[CH:1][C:6]([CH:7]3[CH:24]([C:25]([O:27][CH3:28])=[O:26])[C:23](=[O:29])[C:14]4[C:13](=[CH:18][CH:17]=[C:16]([O:19][CH:20]([CH3:22])[CH3:21])[CH:15]=4)[O:8]3)=[CH:5][C:4]=2[O:9][CH2:10]1 | 1 |
CS[C:3](SC)=[C:4]1[C:13](=[O:14])[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]([NH:15][CH2:16][CH:17]2[CH2:19][CH2:18]2)[C:5]1=[O:20].[NH2:23][C:24]1[S:25][CH:26]=[C:27]([CH2:33][O:34][CH2:35][O:36][CH3:37])[C:28]=1[S:29]([NH2:32])(=[O:31])=[O:30]>O1CCOCC1>[CH:17]1([CH2:16][NH:15][N:6]2[C:7]3[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=3)[C:13]([OH:14])=[C:4]([C:3]3[NH:23][C:24]4[S:25][CH:26]=[C:27]([CH2:33][O:34][CH2:35][O:36][CH3:37])[C:28]=4[S:29](=[O:31])(=[O:30])[N:32]=3)[C:5]2=[O:20])[CH2:18][CH2:19]1 | 1 |
FC(CN)(F)F.ClC1=NC(=NC(=C1N)Cl)SCCC>CO[H]>ClC1=C(C(=NC(=N1)SCCC)NCC(F)(F)F)N | 3 |
[CH:1]1([C:7]2[C:8]3[CH:9]=[CH:10][C:11]([C:35]([O:37][CH3:38])=[O:36])=[CH:12][C:13]=3[N:14]3[C:21]=2[C:20]2[CH:22]=[CH:23][CH:24]=[CH:25][C:19]=2[O:18][CH2:17][CH:16]([CH2:26][CH2:27][CH2:28][N:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)[CH2:15]3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:39]([O:43][C:44]([N-:46][S:47](N1C=CC(=[N+](C)C)C=C1)(=[O:49])=[O:48])=[O:45])([CH3:42])([CH3:41])[CH3:40].[CH2:59]1COCC1>CCOC(C)=O>[C:39]([O:43][C:44]([N:46]([CH3:59])[S:47]([N:32]1[CH2:33][CH2:34][N:29]([CH2:28][CH2:27][CH2:26][CH:16]2[CH2:15][N:14]3[C:13]4[CH:12]=[C:11]([C:35]([O:37][CH3:38])=[O:36])[CH:10]=[CH:9][C:8]=4[C:7]([CH:1]4[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]4)=[C:21]3[C:20]3[CH:22]=[CH:23][CH:24]=[CH:25][C:19]=3[O:18][CH2:17]2)[CH2:30][CH2:31]1)(=[O:49])=[O:48])=[O:45])([CH3:42])([CH3:41])[CH3:40] | 1 |
C(C)(C)(C)OC(NC1CC(CCC1)N1C=NC=C1)=O>CO[H].C(C)(=O)Cl>Cl.Cl.N1(C=NC=C1)C1CC(CCC1)N | 3 |
[C:1]([O:5][C:6]([N:8]([CH3:10])[NH2:9])=[O:7])([CH3:4])([CH3:3])[CH3:2].[F:11][C:12]([F:27])([F:26])[C:13]1[CH:18]=[C:17]([C:19]([F:22])([F:21])[F:20])[CH:16]=[CH:15][C:14]=1B(O)O.C(N(CC)CC)C>ClCCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[C:1]([O:5][C:6]([N:8]([CH3:10])[NH:9][C:14]1[CH:15]=[CH:16][C:17]([C:19]([F:22])([F:20])[F:21])=[CH:18][C:13]=1[C:12]([F:11])([F:26])[F:27])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
C([O:3][C:4]([C:6]1[CH:10]=[C:9]([O:11][CH2:12][C:13]([N:15]2[CH2:19][CH2:18][CH2:17][C@H:16]2[C:20](=[O:26])[NH:21][CH2:22][CH:23]2[CH2:25][CH2:24]2)=[O:14])[N:8]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[N:7]=1)=[O:5])C.[OH-].[Na+]>C1COCC1.O>[CH:23]1([CH2:22][NH:21][C:20]([C@@H:16]2[CH2:17][CH2:18][CH2:19][N:15]2[C:13](=[O:14])[CH2:12][O:11][C:9]2[N:8]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=3)[N:7]=[C:6]([C:4]([OH:5])=[O:3])[CH:10]=2)=[O:26])[CH2:24][CH2:25]1 | 1 |
Br[CH2:2][C:3](=O)[CH2:4][C:5]([NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]([F:17])([F:16])[F:15])[CH:9]=1)=[O:6].[NH2:19][C:20]([NH2:22])=[S:21].O>C(O)C>[NH2:22][C:20]1[S:21][CH:2]=[C:3]([CH2:4][C:5](=[O:6])[NH:7][C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([C:14]([F:17])([F:16])[F:15])[CH:9]=2)[N:19]=1 | 1 |
ClS(=O)(=O)C=1C=C(C(=O)O)C=CC1NC>C(C)(=O)OCC.CNC>CN(S(=O)(=O)C=1C=C(C(=O)O)C=CC1NC)C | 3 |
[CH:1]([O-:3])=O.[NH4+:4].N.[CH2:6]([O:13][C:14]1[CH:15]=[C:16]([C:20](=O)[CH3:21])[CH:17]=[CH:18][CH:19]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.ClC1C=C(Cl)C=CC=1C(=O)C>C(O)=O>[CH:1]([NH:4][CH:20]([C:16]1[CH:17]=[CH:18][CH:19]=[C:14]([O:13][CH2:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[CH:15]=1)[CH3:21])=[O:3] | 1 |
C(#N)C=1C=C(C2=C(N=C(O2)C2=CC=C(C(=O)NC[C@@H]3CC[C@H](CC3)CC=O)C=C2)C1)C(C)C>>C(#N)C=1C=C(C2=C(N=C(O2)C2=CC=C(C(=O)NC[C@@H]3CC[C@H](CC3)CC(=O)O)C=C2)C1)C(C)C | 5 |
FC1=CC=C(C=C1)[Mg]Br.N1=C(C=CC=C1)CC12C(CCCC3=C1C=NC(=C3)C=O)CC3(OCCO3)CC2>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>FC1=CC=C(C=C1)C(N)C1=CC2=C(C=N1)[C@]1([C@H](CCC2)CC2(OCCO2)CC1)CC1=NC=CC=C1 | 3 |
C(=O)C=1C(=C(N(C1CCC)NC(C1=C(C=CC=C1)OCCC)=O)C(=O)OCC)C>O.C1CCCO1.CO[H].[OH-].[Na+]>C(=O)C=1C(=C(N(C1CCC)NC(C1=C(C=CC=C1)OCCC)=O)C(=O)O)C | 3 |
[OH:1][C:2]1[C:7]2[CH:8]=[C:9]([C:11]([NH2:13])=[O:12])[O:10][C:6]=2[CH:5]=[CH:4][CH:3]=1.[CH2:14](Br)[CH3:15].C(=O)([O-])[O-].[K+].[K+].CN(C=O)C>CC(C)=O>[CH2:14]([O:1][C:2]1[C:7]2[CH:8]=[C:9]([C:11]([NH2:13])=[O:12])[O:10][C:6]=2[CH:5]=[CH:4][CH:3]=1)[CH3:15] | 1 |
C(CCC)N=C(C=1C(C(=O)O)=C(C(=C(C1Cl)Cl)Cl)Cl)O>C1CCCO1.C([O-])([O-])=O.[K+].[K+].C1(=CC=CC=C1)S>C(CCC)N=C(C=1C(C(=O)O)=C(C(=C(C1Cl)SC1=CC=CC=C1)SC1=CC=CC=C1)Cl)O | 3 |
N1[C:5](=O)[C:4]2([C:15]3C(=CC=CC=3)OC[CH2:7]2)NC1=O.[O:17]=[C:18]1[NH:31][C:21]2([C:30]3[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=3)C[CH2:23][CH2:22]2)[C:20](=[O:32])[N:19]1[CH2:33][C:34]([OH:36])=[O:35].C([O-])([O-])=[O:38].[K+].[K+]>CN(C=O)C>[O:17]=[C:18]1[NH:31][C:21]2([C:30]3[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=3)[O:38][CH2:23][CH2:22]2)[C:20](=[O:32])[N:19]1[CH2:33][C:34]([O:36][C:4]([CH3:15])([CH3:7])[CH3:5])=[O:35] | 2 |
COC1=C(C(=CC=C1)N1CCOCC1)C=COC>O1CCCC1.Cl>COC1=C(C(=CC=C1)N1CCOCC1)CC=O | 3 |
[I-].C(#N)C[P+](C)(C)C.OCCNC(=S)NC(CC=1SC=CC1)C1=CC=CC=C1.OCCNC(=S)NC(CC=1OC=CC1)C1=CC=CC=C1>C(C)(C)N(C(C)C)CC.C(CC)#N>S1C(=NCC1)NC(CC=1OC=CC1)C1=CC=CC=C1 | 3 |
O1CC(=CC1)C1=C2C=CC=NC2=CC=C1>CO[H].[HH].[Pt](=O)=O>O1CC(CC1)C1=C2CCCNC2=CC=C1 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][OH:6].[C:10]([Si:14](Cl)([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)([CH3:13])([CH3:12])[CH3:11].C(N(CC)CC)C>CN(C)C1C=CN=CC=1.C(Cl)Cl>[O:6]([CH2:5][C:4]1[CH:3]=[C:2]([Br:1])[CH:9]=[CH:8][CH:7]=1)[Si:14]([C:10]([CH3:13])([CH3:12])[CH3:11])([C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
[CH:1]1([C:4]2[N:8]([CH2:9][C:10]3[C:15]([F:16])=[CH:14][C:13]([O:17][CH2:18][CH3:19])=[CH:12][C:11]=3[F:20])[N:7]=[C:6]([C:21]3[N:26]=[C:25]([NH2:27])[C:24]([NH2:28])=[C:23]([NH2:29])[N:22]=3)[C:5]=2[CH3:30])[CH2:3][CH2:2]1.C(N(CC)CC)C.[CH3:38][O:39][CH2:40][C:41](Cl)=[O:42]>CN(C=O)C>[NH2:29][C:23]1[C:24]([NH:28][C:41](=[O:42])[CH2:40][O:39][CH3:38])=[C:25]([NH2:27])[N:26]=[C:21]([C:6]2[C:5]([CH3:30])=[C:4]([CH:1]3[CH2:3][CH2:2]3)[N:8]([CH2:9][C:10]3[C:15]([F:16])=[CH:14][C:13]([O:17][CH2:18][CH3:19])=[CH:12][C:11]=3[F:20])[N:7]=2)[N:22]=1 | 2 |
CC1=NOC(=C1B(O)O)C.BrC1=C(C=CC(=C1)OC)CCC(=O)OCC>>CC1=NOC(=C1C1=C(C=CC(=C1)OC)CCC(=O)OCC)C | 5 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1OC)C1=CC(=CC=C1)CC(=O)OC>>OC=1C=C(C=CC1OC)C1=CC(=CC=C1)CC(=O)OC | 5 |
Cl[CH2:2][CH2:3][C@@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[OH:5].[CH3:12][CH:13]([CH3:29])[C:14]([NH:16][C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([CH:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)[CH:18]=1)=[O:15].C(N(C(C)C)CC)(C)C.N>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)(Cl)Cl.O1CCOCC1>[OH:5][C@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[CH2:3][CH2:2][N:26]1[CH2:27][CH2:28][CH:23]([C:19]2[CH:18]=[C:17]([NH:16][C:14](=[O:15])[CH:13]([CH3:12])[CH3:29])[CH:22]=[CH:21][CH:20]=2)[CH2:24][CH2:25]1 | 1 |
Br[C:2]1[CH:3]=[C:4]([C:8]2[C:9]3[CH:20]=[C:19]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[C:18]([O:27][CH3:28])=[CH:17][C:10]=3[N:11]([CH3:16])[C:12](=[O:15])[CH2:13][N:14]=2)[CH:5]=[CH:6][CH:7]=1.[CH2:29]([NH:32][C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[C:30]#[CH:31]>>[C:36]([O:35][C:33](=[O:34])[NH:32][CH2:29][C:30]#[C:31][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:8]2[C:9]3[CH:20]=[C:19]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[C:18]([O:27][CH3:28])=[CH:17][C:10]=3[N:11]([CH3:16])[C:12](=[O:15])[CH2:13][N:14]=2)[CH:3]=1)([CH3:39])([CH3:38])[CH3:37] | 1 |
ClC1N=C(Cl)[C:5]([C:9]([O:11][CH2:12][CH3:13])=O)=CN=1.[CH3:14][N:15]([CH3:31])[C:16]1[C:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:20][N:19]=[C:18]([S:27][CH2:28][CH2:29][CH3:30])[N:17]=1>>[CH3:5][C@H:9]1[CH2:14][N:15]([C:16]2[C:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:20][N:19]=[C:18]([S:27][CH2:28][CH2:29][CH3:30])[N:17]=2)[CH2:31][C@@H:12]([CH3:13])[O:11]1 | 2 |
[CH:1]1C=CC(C2C=CC=CC=2)=CC=1.C1C=C[C:16]([O:19]C2C=CC=CC=2)=CC=1.Cl[C:27]1[N:32]=[CH:31][C:30]([NH:33][CH:34]=[C:35]([C:41](=[O:43])[CH3:42])[C:36]([O:38]CC)=O)=[CH:29][CH:28]=1>>[OH:38][C:36]1[C:31]2[C:30](=[CH:29][CH:28]=[C:27]([O:19][CH3:16])[N:32]=2)[N:33]=[CH:34][C:35]=1[C:41](=[O:43])[CH2:42][CH3:1] | 1 |
OCC(O)CO.[N+](=O)([O-])C1=CC=CC=C1.NC1=CC(=C(C(=C1)F)C(C(=O)O)C)F>S(O)(O)(=O)=O.ClS(Cl)=O>FC1=C2C=CC=NC2=CC(=C1C(C(=O)OC)C)F | 3 |
COC=1C=C2C(=CC(=NC2=CC1)C)O>P(=O)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>BrC=1C=C2C(=CC(=NC2=CC1)C)Cl | 3 |
COC(CC1=C(CCC2=NC(=NC=C2C(F)(F)F)NC2=CC=C(CN3CCN(CC3)C(=O)OC(C)(C)C)C=C2)C=CC=C1)=O>>C(C)(C)(C)OC(=O)N1CCN(CC1)CC1=CC=C(C=C1)NC1=NC=C(C(=N1)CCC1=C(C=CC=C1)CC(=O)[O-])C(F)(F)F.[Li+] | 5 |
N1=C(N=CC=C1)C1=CC=C(C=O)C=C1.CCOC(=O)C(F)P(=O)(OCC)OCC>C1CCCO1.CCN(CC)CC.[Br-].[Mg+2].[Br-]>C(C)OC(/C(=C/C1=CC=C(C=C1)C1=NC=CC=N1)/F)=O | 3 |
CC1(OB(OC1(C)C)C1=CC=CC=C1)C.ClC=1C2=C(N=CN1)N(C=C2I)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>ClC=1C2=C(N=CN1)N(C=C2C2=CC=CC=C2)C | 3 |
[CH3:1][O:2][C:3](=[O:30])[CH2:4][CH2:5][CH2:6][CH2:7][N:8]([CH2:19][C:20]1[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=1)[CH2:9][CH2:10][C:11]1[CH:16]=[C:15]([F:17])[CH:14]=[CH:13][C:12]=1[OH:18].Cl[CH2:32][C:33]1[CH:38]=[CH:37][C:36]([C:39]2[CH:44]=[CH:43][C:42]([C:45](F)(F)F)=[CH:41][CH:40]=2)=[CH:35][CH:34]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[I-].[K+]>C(#N)C>[F:17][C:15]1[CH:14]=[CH:13][C:12]([O:18][CH2:32][C:33]2[CH:38]=[CH:37][C:36]([C:39]3[CH:44]=[CH:43][C:42]([CH3:45])=[CH:41][CH:40]=3)=[CH:35][CH:34]=2)=[C:11]([CH2:10][CH2:9][N:8]([CH2:19][C:20]2[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=2)[CH2:7][CH2:6][CH2:5][CH2:4][C:3]([O:2][CH3:1])=[O:30])[CH:16]=1 | 1 |
[F:1][C:2]1[C:10]([O:11][CH3:12])=[CH:9][CH:8]=[C:7]2[C:3]=1[CH2:4][CH2:5][C:6]2([C:24](=[O:26])[CH3:25])[CH2:13][C:14]1[CH:15]=[N:16][C:17]([C:20]([F:23])([F:22])[F:21])=[CH:18][CH:19]=1.Cl[Si](C)(C)C.[Br-:32].[Br-].[Br-].C1([N+](C)(C)C)C=CC=CC=1.C1([N+](C)(C)C)C=CC=CC=1.C1([N+](C)(C)C)C=CC=CC=1>C1COCC1>[Br:32][CH2:25][C:24]([C:6]1([CH2:13][C:14]2[CH:15]=[N:16][C:17]([C:20]([F:22])([F:23])[F:21])=[CH:18][CH:19]=2)[C:7]2[C:3](=[C:2]([F:1])[C:10]([O:11][CH3:12])=[CH:9][CH:8]=2)[CH2:4][CH2:5]1)=[O:26] | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([OH:10])=[CH:9][C:4]=2[O:3][CH2:2]1.C([Mg]Cl)(C)C.[Br:16][C:17]1[C:25]2[C:24](=O)[C:23](=[O:27])[CH:22]=[C:21]3[CH2:28][CH2:29][CH2:30][CH2:31][N:19]([C:20]=23)[CH:18]=1.FC(F)(F)C(O)=O.C([SiH](CC)CC)C>O1CCCC1.ClCCl>[Br:16][C:17]1[C:25]2[CH:24]([C:7]3[C:8]([OH:10])=[CH:9][C:4]4[O:3][CH2:2][O:1][C:5]=4[CH:6]=3)[C:23](=[O:27])[CH:22]=[C:21]3[CH2:28][CH2:29][CH2:30][CH2:31][N:19]([C:20]=23)[CH:18]=1 | 2 |
Cl.[CH2:2]([O:9][C:10](=[O:19])[NH:11][C:12]1([CH3:18])[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.Cl[C:21]1[CH:26]=[CH:25][C:24]([C:27]#[N:28])=[CH:23][N:22]=1.C(N(C(C)C)CC)(C)C>O1CCOCC1>[CH2:2]([O:9][C:10](=[O:19])[NH:11][C:12]1([CH3:18])[CH2:17][CH2:16][N:15]([C:21]2[CH:26]=[CH:25][C:24]([C:27]#[N:28])=[CH:23][N:22]=2)[CH2:14][CH2:13]1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][N:5]2[N:8]=[C:9]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[C:10]([C:11]3[CH:12]=[CH:13][C:14](=[O:20])[N:15]([CH:17]([CH3:19])[CH3:18])[N:16]=3)=[C:4]2[CH:3]=1.Cl.Cl[CH2:29][CH2:30][N:31]1[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1.C([O-])([O-])=O.[K+].[K+].O>CN(C)C=O>[N:31]1([CH2:30][CH2:29][O:1][C:2]2[CH:7]=[CH:6][N:5]3[N:8]=[C:9]([C:21]4[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=4)[C:10]([C:11]4[CH:12]=[CH:13][C:14](=[O:20])[N:15]([CH:17]([CH3:19])[CH3:18])[N:16]=4)=[C:4]3[CH:3]=2)[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1 | 2 |
C(C)(=O)OC(C)=O.NC1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCC2=CC(=CC(N12)=O)C1=C(C=CC(=C1)Cl)N1N=NN=C1>C1CCCO1.C(=O)O>ClC=1C=CC(=C(C1)C1=CC(N2[C@@H](CCC2=C1)C=1NC(=CN1)C1=CC=C(C=C1)NC=O)=O)N1N=NN=C1 | 3 |
C(C)(C)(C)OC(CC1=C(C=CC=C1)O)=O.BrC=1C=C(C=C(C1F)NCC1OCCC1)CO>>BrC=1C=C(COC2=C(C=CC=C2)CC(=O)OC(C)(C)C)C=C(C1F)NCC1OCCC1 | 5 |
ClC1=NC(=NC(=C1CCCNC(OC(C)(C)C)=O)Cl)SC>ClCCl.C(=O)(C(F)(F)F)O>ClC1=NC(=NC(=C1CCCN)Cl)SC | 3 |
[CH2:1]([O:3][C:4]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[NH:7][C:6](=[O:14])[CH:5]=1)[CH3:2].[H-].[Na+].[CH3:17]C(N(C)C)=O>>[CH3:17][N:7]1[C:8]2[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=2)[C:4]([O:3][CH2:1][CH3:2])=[CH:5][C:6]1=[O:14] | 1 |
[CH3:1][C:2]12[CH2:12][C:6]3([CH2:13][N:14]4[C:18]([CH3:19])=[CH:17][CH:16]=[N:15]4)[CH2:7][C:8]([CH3:11])([CH2:10][C:4]([O:20][CH2:21][CH2:22][OH:23])([CH2:5]3)[CH2:3]1)[CH2:9]2.[I:24]N1C(=O)CCC1=O>CN(C)C=O.C(OCC)(=O)C>[CH3:1][C:2]12[CH2:3][C:4]3([O:20][CH2:21][CH2:22][OH:23])[CH2:10][C:8]([CH3:11])([CH2:7][C:6]([CH2:13][N:14]4[C:18]([CH3:19])=[C:17]([I:24])[CH:16]=[N:15]4)([CH2:5]3)[CH2:12]1)[CH2:9]2 | 1 |
C([O:8][C@:9]1([CH3:17])[C@H:12]([C@@H:13]([F:15])[CH3:14])[NH:11][C:10]1=[O:16])C1C=CC=CC=1.[CH2:18]([Si:20](Cl)([CH2:23][CH3:24])[CH2:21][CH3:22])[CH3:19]>>[F:15][C@H:13]([C@@H:12]1[NH:11][C:10](=[O:16])[C@:9]1([CH3:17])[O:8][Si:20]([CH2:23][CH3:24])([CH2:21][CH3:22])[CH2:18][CH3:19])[CH3:14] | 2 |
[CH3:1][S:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=O)=[CH:5][C:4]=1[O:12][CH2:13][CH2:14][C:15]1[CH:16]=[C:17]([CH3:21])[CH:18]=[CH:19][CH:20]=1.CN(C=O)C.C(Cl)(=O)C(Cl)=O.Cl.[CH3:34][O:35][C:36]([C:38]1([NH2:47])[CH2:46][C:45]2[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=2)[CH2:39]1)=[O:37].C(=O)([O-])O.[Na+]>C(Cl)Cl.CC(=O)OCC>[CH3:34][O:35][C:36]([C:38]1([NH:47][C:7](=[O:9])[C:6]2[CH:10]=[CH:11][C:3]([S:2][CH3:1])=[C:4]([O:12][CH2:13][CH2:14][C:15]3[CH:16]=[C:17]([CH3:21])[CH:18]=[CH:19][CH:20]=3)[CH:5]=2)[CH2:46][C:45]2[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=2)[CH2:39]1)=[O:37] | 1 |
C(O[C:6]([N:8]1[CH2:12][CH2:11][C@H:10]([O:13][C:14]2[CH:15]=[CH:16][C:17]3[O:22][CH2:21][CH2:20][N:19]([C:23]4[CH:24]=[N:25][C:26]([O:30][CH3:31])=[C:27]([CH3:29])[CH:28]=4)[C:18]=3[C:32]=2[CH3:33])[CH2:9]1)=[O:7])(C)(C)C.C(O)(C(F)(F)F)=O.[O:41]=[S:42]1(=[O:51])[CH2:47][CH2:46][CH:45](C(O)=O)[CH2:44][CH2:43]1.CCN(CC)CC.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1>C(Cl)Cl.CC#N.O>[O:41]=[S:42]1(=[O:51])[CH2:47][CH2:46][CH:45]([C:6]([N:8]2[CH2:12][CH2:11][C@H:10]([O:13][C:14]3[CH:15]=[CH:16][C:17]4[O:22][CH2:21][CH2:20][N:19]([C:23]5[CH:24]=[N:25][C:26]([O:30][CH3:31])=[C:27]([CH3:29])[CH:28]=5)[C:18]=4[C:32]=3[CH3:33])[CH2:9]2)=[O:7])[CH2:44][CH2:43]1 | 2 |
NC=1C(N(C=CC1)CC1=NC2=C(N1C(=O)OC(C)(C)C)C(=CC(=C2CC(C)C)F)F)=O.CN(C(/C=C/CC[C@@H](C=O)NC(OC)=O)=O)C>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>CN(C(/C=C/CCC(CNC=1C(N(C=CC1)CC1=NC2=C(N1C(=O)OC(C)(C)C)C(=CC(=C2CC(C)C)F)F)=O)NC(=O)OC)=O)C | 3 |
OCC1CCC(CC1)N1C(C2=CC(=C(C=C2C1)NC(=O)C1=NC(=CC=C1)C(F)(F)F)N1[C@H]2CO[C@@H](C1)C2)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(=O)C1CCC(CC1)N1C(C2=CC(=C(C=C2C1)NC(=O)C1=NC(=CC=C1)C(F)(F)F)N1[C@H]2CO[C@@H](C1)C2)=O | 3 |
N12C[C@@H](C(CC1)CC2)O.C(C1=CC=CC=C1)OC=1C=CC(=C2C=CC(NC12)=O)[C@H](CN(CCCCC(=O)NC=1C=C(C=CC1)C(C(=O)O)(C1=CC=CC=C1)O)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C1=CC=CC=C1)OC=1C=CC(=C2C=CC(NC12)=O)[C@H](CN(CCCCC(=O)NC=1C=C(C=CC1)C(C(=O)O[C@H]1CN2CCC1CC2)(C2=CC=CC=C2)O)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C | 3 |
[CH3:1][O:2][C:3](=[O:50])[N:4]([CH:20]1[C:29]2[C:24](=[CH:25][CH:26]=[C:27]([C:30]([F:33])([F:32])[F:31])[CH:28]=2)[N:23](C(=O)C(F)(F)F)[CH:22]([CH2:40][CH2:41][O:42][CH2:43][C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[CH2:21]1)[CH2:5][C:6]1[CH:11]=[C:10]([C:12]([F:15])([F:14])[F:13])[CH:9]=[C:8]([C:16]([F:19])([F:18])[F:17])[CH:7]=1.CO.O1CCCC1.[Li+].[OH-]>O>[CH3:1][O:2][C:3](=[O:50])[N:4]([CH:20]1[C:29]2[C:24](=[CH:25][CH:26]=[C:27]([C:30]([F:33])([F:31])[F:32])[CH:28]=2)[NH:23][CH:22]([CH2:40][CH2:41][O:42][CH2:43][C:44]2[CH:45]=[CH:46][CH:47]=[CH:48][CH:49]=2)[CH2:21]1)[CH2:5][C:6]1[CH:11]=[C:10]([C:12]([F:15])([F:14])[F:13])[CH:9]=[C:8]([C:16]([F:17])([F:18])[F:19])[CH:7]=1 | 2 |
BrCCO.ON1C(C=2C(C1=O)=CC=CC2)=O>CS(=O)C.C(C)(=O)[O-].[Na+]>OCCON1C(C2=CC=CC=C2C1=O)=O | 3 |
[NH2:1][C:2]1[N:3]=[CH:4][C:5]([CH2:8][CH2:9][CH2:10][C@H:11]([NH:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[C:12]([OH:14])=O)=[N:6][CH:7]=1.Cl.[F:24][C:25]([F:32])=[C:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1>>[NH2:1][C:2]1[N:3]=[CH:4][C:5]([CH2:8][CH2:9][CH2:10][C@H:11]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:22])([CH3:21])[CH3:20])[C:12]([N:29]2[CH2:30][CH2:31][C:26](=[C:25]([F:32])[F:24])[CH2:27][CH2:28]2)=[O:14])=[N:6][CH:7]=1 | 1 |
Br[C:2]1[CH:26]=[CH:25][C:5]([CH2:6][N:7]2[C:12](=[O:13])[C:11]([C:14]([NH:16][CH2:17][C:18]([OH:20])=[O:19])=[O:15])=[C:10]([OH:21])[C:9]3[CH2:22][S:23][CH2:24][C:8]2=3)=[CH:4][CH:3]=1.C([O-])([O-])=O.[Na+].[Na+].[C:33]1([CH3:42])[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1>CC(N(C)C)=O.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>[OH:21][C:10]1[C:9]2[CH2:22][S:23][CH2:24][C:8]=2[N:7]([CH2:6][C:5]2[CH:25]=[CH:26][C:2]([C:36]3[CH:37]=[CH:38][C:33]([CH3:42])=[CH:34][CH:35]=3)=[CH:3][CH:4]=2)[C:12](=[O:13])[C:11]=1[C:14]([NH:16][CH2:17][C:18]([OH:20])=[O:19])=[O:15] | 1 |
[NH2:1][C:2]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][C:3]=1[C:4]#[N:5].Br[C:12]1[CH:13]=[C:14]([F:27])[C:15]([CH2:18][NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[N:16][CH:17]=1>>[C:4]([C:3]1[CH:6]=[C:7]([F:10])[CH:8]=[CH:9][C:2]=1[NH:1][C:12]1[CH:13]=[C:14]([F:27])[C:15]([CH2:18][NH:19][C:20](=[O:26])[O:21][C:22]([CH3:23])([CH3:25])[CH3:24])=[N:16][CH:17]=1)#[N:5] | 2 |
BrC1=C(C=NC=C1)CNC[C@@H](CC)O>[Cu]I.C(C)(C)O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)[C@H]1OC2=C(CNC1)C=NC=C2 | 3 |
C1(CC1)C(CC[C@@H](CNC(=O)C=1NC2=CC(=CC=C2C1)C1=CC=C(C=C1)F)NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O>CO[H].Cl.O1CCOCC1>[Cl-].C1(CC1)C(CC[C@@H](CNC(=O)C=1NC2=CC(=CC=C2C1)C1=CC=C(C=C1)F)[NH3+])[NH3+].[Cl-] | 3 |
C([NH:8][C:9]1[CH:10]=[C:11]([CH:23]=[CH:24][CH:25]=1)[CH2:12][C:13]1([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:15][CH2:14]1)C1C=CC=CC=1>C(O)C.C1COCC1.[Pd]>[NH2:8][C:9]1[CH:10]=[C:11]([CH:23]=[CH:24][CH:25]=1)[CH2:12][C:13]1([C:16]([O:18][C:19]([CH3:22])([CH3:20])[CH3:21])=[O:17])[CH2:15][CH2:14]1 | 1 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][O:12][CH2:11][CH2:10]2)=[CH:5][CH:4]=1)=O.[I-:15].[CH3:16][N+:17]1[CH:22]=[CH:21][C:20]([CH3:23])=[CH:19][CH:18]=1.N1CCCCC1>CO>[I-:15].[CH3:16][N+:17]1[CH:22]=[CH:21][C:20]([CH:23]=[CH:1][C:3]2[CH:8]=[CH:7][C:6]([N:9]3[CH2:14][CH2:13][O:12][CH2:11][CH2:10]3)=[CH:5][CH:4]=2)=[CH:19][CH:18]=1 | 2 |
[C:1]([Si:5]([CH3:15])([CH3:14])[O:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][CH:8]=1)([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[Ca+2].[Br:21]Br.[O-]S([O-])(=O)=O.[Mg+2]>ClCCl>[Br:21][C:9]1[CH:8]=[C:7]([O:6][Si:5]([C:1]([CH3:4])([CH3:3])[CH3:2])([CH3:15])[CH3:14])[CH:12]=[CH:11][C:10]=1[OH:13] | 2 |
FC(C=1C=C(C=CC1)CCN)(F)F>>FC(C(=O)NCCC1=CC(=CC=C1)C(F)(F)F)(F)F | 5 |
COC(CC1=C(SC(=C1)COC)C)=O>ClCCl.B(Cl)(Cl)Cl>COC(CC1=C(SC(=C1)CCl)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[C:16]([C:17]([CH3:19])=[CH2:18])=[CH:15][N:14]=[C:13]([CH3:20])[C:12]=2[C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.[H][H]>[Pd].C(O)C>[CH3:10][O:9][C:7]1[CH:6]=[C:5]([C:11]2[C:16]([CH:17]([CH3:18])[CH3:19])=[CH:15][N:14]=[C:13]([CH3:20])[C:12]=2[C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)[CH:4]=[C:3]([O:2][CH3:1])[CH:8]=1 | 2 |
FC1=C(CBr)C=CC=C1.C(C)(C)=NNC(=O)OC(C)(C)C>>FC1=C(CN(N=C(C)C)C(=O)OC(C)(C)C)C=CC=C1 | 5 |
[CH2:1]([O:8][C@H:9]1[C@H:14]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C@@H:13]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C@@:12]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[C:35]([CH2:40][C:41]3[CH:46]=[CH:45][C:44]([O:47][CH3:48])=[C:43]([F:49])[C:42]=3[F:50])[CH:34]=2)([O:31][CH3:32])[O:11][C@@H:10]1[CH2:51][O:52][Si](C)(C)C)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(Cl)(=O)C>CO>[CH2:1]([O:8][C@H:9]1[C@H:14]([O:15][CH2:16][C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)[C@@H:13]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C@@:12]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[C:35]([CH2:40][C:41]3[CH:46]=[CH:45][C:44]([O:47][CH3:48])=[C:43]([F:49])[C:42]=3[F:50])[CH:34]=2)([O:31][CH3:32])[O:11][C@@H:10]1[CH2:51][OH:52])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
FC=1C=C(C=C(C1[C@H]1N([C@@H](CC2=C1NC1=CC=CC=C21)C)CC(C)(C)F)F)O.BrCCCCOCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C)C(C)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(OCCCCOCCC(=O)N[C@H](C(=O)N2[C@@H](C[C@H](C2)O)C(=O)NCC2=CC=C(C=C2)C2=C(N=CS2)C)C(C)(C)C)C=C(C1[C@H]1N([C@@H](CC2=C1NC1=CC=CC=C21)C)CC(C)(C)F)F | 3 |
C(C)(C)(C)N=C=O.N[C@@H]1CC[C@H](CC1)NC(=O)NC1CCCCC1>>C(C)(C)(C)NC(=O)NC1CCC(CC1)NC(NC1CCCCC1)=O | 5 |
C(C)C=1N(C(C(=C(N1)CCC)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C1=CC=C(C=C1)OC(C)C>>C(C)C1=NC(=C(C(N1C1=CC=C(C=C1)OC(C)C)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC | 5 |
CS(O[C@H:6]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C@H:7]1[O:12][CH2:11][CH2:10][N:9]([C@@H:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH3:14])[CH2:8]1)(=O)=O.C(=O)([O-])[O-].[K+].[K+].[F:33][C:34]([F:43])([F:42])[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=1[SH:41]>>[C:15]1([C@H:13]([N:9]2[CH2:10][CH2:11][O:12][C@H:7]([C@H:6]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[S:41][C:36]3[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=3[C:34]([F:33])([F:42])[F:43])[CH2:8]2)[CH3:14])[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([C:12](=[O:36])[C:13]3[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:35])[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][CH2:28][CH2:29]OS(C)(=O)=O)=[N:15][CH:14]=3)[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[CH:37]=1.[C:38]1(=[O:48])[NH:42][C:41](=[O:43])[C:40]2=[CH:44][CH:45]=[CH:46][CH:47]=[C:39]12.[K]>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([C:12](=[O:36])[C:13]3[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:35])[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][CH2:28][CH2:29][N:42]4[C:41](=[O:43])[C:40]5=[CH:44][CH:45]=[CH:46][CH:47]=[C:39]5[C:38]4=[O:48])=[N:15][CH:14]=3)[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[CH:37]=1 | 1 |
C1(CC1)N1C=CC2=C(C=C(C=C12)C(=O)O)C1=NN=NN1.Cl.O=C1C=CC(=CN1)C=1C=C2C(CC3(CCNCC3)OC2=CC1)=O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C1(CC1)N1C=CC2=C(C=C(C=C12)C(=O)N1CCC2(CC1)OC1=CC=C(C=C1C(C2)=O)C2=CNC(C=C2)=O)C2=NN=NN2 | 3 |
Br[C:2]1[CH:3]=[C:4]([C:22]([OH:31])([C:27]([F:30])([F:29])[F:28])[C:23]([F:26])([F:25])[F:24])[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][CH2:12][N:11]([S:14]([C:17]2[S:18][CH:19]=[CH:20][CH:21]=2)(=[O:16])=[O:15])[CH2:10][CH2:9]1.[CH2:32]([OH:35])[C:33]#[CH:34].C(NCC)C.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>CN(C=O)C.[Pd](Cl)Cl.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Cu](I)I>[S:18]1[CH:19]=[CH:20][CH:21]=[C:17]1[S:14]([N:11]1[CH2:12][CH2:13][N:8]([C:7]2[CH:6]=[CH:5][C:4]([C:22]([OH:31])([C:27]([F:30])([F:29])[F:28])[C:23]([F:26])([F:25])[F:24])=[CH:3][C:2]=2[C:34]#[C:33][CH2:32][OH:35])[CH2:9][CH2:10]1)(=[O:16])=[O:15] | 1 |
Cl.CNOC.C(=O)(OC(C)(C)C)N1CC(C1)C(=O)O>ClCCl.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)(C)(C)OC(=O)N1CC(C1)C(=O)N(C)OC | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:12][CH:13]=[CH2:14])[C:9]([OH:11])=[O:10])=[CH:4][C:3]=1[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=1.[H][H]>CCO.Cl.[Pd]>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:12][CH2:13][CH3:14])[C:9]([OH:11])=[O:10])=[CH:4][C:3]=1[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=1 | 1 |
BrC1=CN(C2=CC=C(C=C12)C(=O)N1CCOCC1)C=1SC=C(N1)C(=O)OCC>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>N1(CCOCC1)C(=O)C=1C=C2C(=CN(C2=CC1)C=1SC=C(N1)C(=O)OCC)B1OC(C(O1)(C)C)(C)C | 3 |
[NH2:1][C:2]1[CH:31]=[CH:30][C:5]([CH2:6][C:7]2[NH:15][C:14]3[C:13](=[O:16])[N:12]([CH2:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[F:24])[C:11](=[O:25])[N:10]([CH2:26][CH2:27][CH2:28][CH3:29])[C:9]=3[N:8]=2)=[CH:4][CH:3]=1.[C:32]1([S:38](Cl)(=[O:40])=[O:39])[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[CH2:26]([N:10]1[C:9]2[N:8]=[C:7]([CH2:6][C:5]3[CH:4]=[CH:3][C:2]([NH:1][S:38]([C:32]4[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=4)(=[O:40])=[O:39])=[CH:31][CH:30]=3)[NH:15][C:14]=2[C:13](=[O:16])[N:12]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[F:24])[C:11]1=[O:25])[CH2:27][CH2:28][CH3:29] | 1 |
[CH2:1]([Si:5]([CH3:17])([CH3:16])N(C)[Si](C)(CCCC)N[SiH3])[CH2:2][CH2:3][CH3:4].[F:18][C:19]([F:30])([F:29])[C:20]([O:22]C(=O)C(F)(F)F)=[O:21]>>[F:18][C:19]([F:30])([F:29])[C:20]([O:22][Si:5]([CH2:1][CH2:2][CH2:3][CH3:4])([CH3:16])[CH3:17])=[O:21] | 2 |
C(C)OC(OCC)OCC.NC=1C=NC2=CC=CC=C2C1NNC(=O)OC(C)(C)C>>N1(C=NC=2C=NC=3C=CC=CC3C21)NC(OC(C)(C)C)=O | 5 |
FC1=CC(=CC=C1)F>S(O)(O)(=O)=O.C(C)(C)O>FC1(CC(=CC=C1)F)C(C)C | 3 |
Cl[C:2]1[N:11]=[C:10]([NH:12][CH2:13][CH:14]([N:21]2[CH2:26][CH2:25][N:24]([CH3:27])[CH2:23][CH2:22]2)[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[CH3:28][S:29]([NH:32][C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1)(=[O:31])=[O:30].CN(C)C1C=CC(C2N=C(NCC(C3C=CC=CC=3)C3NC=CC=3)C3C(=CC=CC=3)N=2)=CC=1>C(Cl)Cl.CO>[CH3:27][N:24]1[CH2:25][CH2:26][N:21]([CH:14]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:13][NH:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([C:36]3[CH:35]=[CH:34][C:33]([NH:32][S:29]([CH3:28])(=[O:30])=[O:31])=[CH:38][CH:37]=3)[N:11]=2)[CH2:22][CH2:23]1 | 2 |
C(C=C)#N.FC1=C2C=C(C(=NC2=CC=C1)C)CC(=O)OC(C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>C(#N)CCC(C(=O)OC(C)(C)C)C=1C(=NC2=CC=CC(=C2C1)F)C | 3 |
[CH3:1][O:2][C:3](=[O:21])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([S:11][CH2:12][CH2:13][C@H:14]([O:16]S(C)(=O)=O)[CH3:15])[CH:6]=1.[F:22][C:23]1[CH:40]=[CH:39][C:26]([O:27][C:28]2[CH:33]=[C:32]([C:34]([F:37])([F:36])[F:35])[CH:31]=[CH:30][C:29]=2O)=[CH:25][CH:24]=1>>[CH3:1][O:2][C:3](=[O:21])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([S:11][CH2:12][CH2:13][C@@H:14]([O:16][C:29]2[CH:30]=[CH:31][C:32]([C:34]([F:35])([F:36])[F:37])=[CH:33][C:28]=2[O:27][C:26]2[CH:39]=[CH:40][C:23]([F:22])=[CH:24][CH:25]=2)[CH3:15])[CH:6]=1 | 2 |
ClC=1C=C(C=CC1F)[N+](=O)[O-].CC1=CC=CC(=N1)CO>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC1=C(OCC2=NC(=CC=C2)C)C=CC(=C1)[N+](=O)[O-] | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.C(=O)([O-])[O-].[K+].[K+].Cl[CH2:15][C:16]([N:18]([CH3:28])[C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][CH:20]=1)=[O:17]>CC(C)=O>[CH3:28][N:18]([C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][CH:20]=1)[C:16](=[O:17])[CH2:15][N:5]1[CH2:6][CH2:7][N:2]([CH3:1])[CH2:3][CH2:4]1 | 2 |
[Cl:1][C:2]1[C:3]([O:16][CH3:17])=[CH:4][C:5]2[O:10][CH:9]([C:11]([OH:13])=O)[CH2:8][N:7]([CH3:14])[C:6]=2[CH:15]=1.[F:18][C:19]1[CH:32]=[CH:31][C:22]([CH2:23][N:24]2[CH2:29][CH2:28][NH:27][C@H:26]([CH3:30])[CH2:25]2)=[CH:21][CH:20]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C.O>[Cl:1][C:2]1[C:3]([O:16][CH3:17])=[CH:4][C:5]2[O:10][CH:9]([C:11]([N:27]3[CH2:28][CH2:29][N:24]([CH2:23][C:22]4[CH:31]=[CH:32][C:19]([F:18])=[CH:20][CH:21]=4)[CH2:25][C@H:26]3[CH3:30])=[O:13])[CH2:8][N:7]([CH3:14])[C:6]=2[CH:15]=1 | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[C:18](F)[C:17]([N+:21]([O-:23])=[O:22])=[CH:16][C:15]=2[F:24])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[F:31][C:32]([F:43])([F:42])[O:33][C:34]1[CH:41]=[CH:40][C:37]([CH2:38][NH2:39])=[CH:36][CH:35]=1>CN(C=O)C.ClCCl.O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[C:18]([NH:39][CH2:38][C:37]3[CH:40]=[CH:41][C:34]([O:33][C:32]([F:31])([F:42])[F:43])=[CH:35][CH:36]=3)[C:17]([N+:21]([O-:23])=[O:22])=[CH:16][C:15]=2[F:24])[CH2:10][CH2:9]1)=[O:7])([CH3:3])([CH3:4])[CH3:2] | 1 |
[Br:1][C:2]1[N:7]=[C:6]([C:8](O)=O)[C:5]([O:11]C)=[CH:4][CH:3]=1.[F:13][C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([NH2:20])[C:15]=1[NH2:21].C([O-])([O-])=O.[Na+].[Na+]>>[Br:1][C:2]1[N:7]=[C:6]([C:8]2[NH:20][C:16]3[CH:17]=[CH:18][CH:19]=[C:14]([F:13])[C:15]=3[N:21]=2)[C:5]([OH:11])=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][N:5]([CH3:36])[C:6]=1[C:7]1[S:8][C:9]([C:12]([NH:14][C@@H:15]([CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=2)[CH2:16][N:17]2C(=O)C3C(=CC=CC=3)C2=O)=[O:13])=[CH:10][N:11]=1.NN>C1COCC1.CO>[NH2:17][CH2:16][C@@H:15]([NH:14][C:12]([C:9]1[S:8][C:7]([C:6]2[N:5]([CH3:36])[N:4]=[CH:3][C:2]=2[Cl:1])=[N:11][CH:10]=1)=[O:13])[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=1 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([NH:11][C@H:12]([C:14]([OH:16])=[O:15])[CH3:13])=[O:10])[CH:5]=[CH:6][CH:7]=1.[CH3:17][CH:18]1[CH2:22][CH2:21][CH2:20][CH:19]1O>>[CH3:17][CH:18]1[CH2:22][CH2:21][CH2:20][CH:19]1[O:15][C:14](=[O:16])[C@H:12]([CH3:13])[NH:11][C:9](=[O:10])[CH2:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=1 | 1 |
CS(=O)(=O)Cl.FC1=CC=C(C=C1)C(CN1CCN(CC1)C(=O)C1OCCC1)O>>N(=[N+]=[N-])C(CN1CCN(CC1)C(=O)C1OCCC1)C1=CC=C(C=C1)F | 5 |
Cl[C:2]1[N:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[C:9]([F:15])([F:14])[CH2:8][N:7]([CH:16]3[CH2:19][CH2:18][CH2:17]3)[C:6]=2[N:20]=1.O.C1(C)C(S(O)(=O)=O)=CC=CC=1.[NH2:33][C:34]1[CH:47]=[CH:46][C:37]([C:38]([NH:40][CH2:41][CH2:42]N(C)C)=[O:39])=[CH:36][C:35]=1[O:48][CH3:49]>C(O)(C)C>[CH:16]1([N:7]2[CH2:8][C:9]([F:15])([F:14])[C:10](=[O:13])[N:11]([CH3:12])[C:5]3[CH:4]=[N:3][C:2]([NH:33][C:34]4[CH:47]=[CH:46][C:37]([C:38]([NH:40][CH2:41][CH2:42][CH2:6][N:7]([CH3:16])[CH3:8])=[O:39])=[CH:36][C:35]=4[O:48][CH3:49])=[N:20][C:6]2=3)[CH2:19][CH2:18][CH2:17]1 | 1 |
[C:1]([C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][N:4]=1)#N.[CH3:11][CH2:12][Mg+].[Br-].Cl.[OH-:16].[Na+]>C1C=CC=CC=1.C1COCC1.ClCCl.O.CCOCC>[C:1]([C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][N:4]=1)(=[O:16])[CH2:11][CH3:12] | 1 |
[OH:1][C:2]1[CH:9]=[C:8]([O:10][CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][O:12]2)[CH:7]=[C:6]([CH2:17][O:18][CH3:19])[C:3]=1[CH:4]=[O:5].[O:20](S(C(F)(F)F)(=O)=O)[S:21]([C:24]([F:27])([F:26])[F:25])(=O)=[O:22]>ClCCl.O>[CH:4]([C:3]1[C:6]([CH2:17][O:18][CH3:19])=[CH:7][C:8]([O:10][CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][O:12]2)=[CH:9][C:2]=1[O:1][S:21]([C:24]([F:27])([F:26])[F:25])(=[O:22])=[O:20])=[O:5] | 1 |
C(C1=CC=CC=C1)N1CC(C(CC1)(C(=O)OCC1=CC=CC=C1)CC(=O)OCC)=O>>C(C1=CC=CC=C1)N1CC(C(CC1)CC(=O)OCC)=O | 5 |
C(C1=CC=CC=C1)OC1=NN(C(=C1)C(=O)OC)C1=CC=CC=C1>>OC1=NN(C(=C1)C(=O)OC)C1=CC=CC=C1 | 5 |
C1(=CC=CC=C1)C1=CC=CC=C1.BrC1=C(C=C(COC2CN(CCC2C2=CC=C(C=C2)OCCCOCC2=C(C=CC=C2)OC)C(=O)OCC2=CC=CC=C2)C=C1)OCCCOC>>COC1=C(COCCCOC2=CC=C(C=C2)C2C(CN(CC2)C(=O)OCC2=CC=CC=C2)OCC2=CC(=C(C=C2)N2CCCC2)OCCCOC)C=CC=C1 | 5 |
[Cl:1][C:2]1[N:10]=[C:9](Cl)[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[C:12]([O:16][C:17]([C:19]1[CH:20]=[C:21](B(O)O)[CH:22]=[CH:23][CH:24]=1)=[O:18])([CH3:15])([CH3:14])[CH3:13].C(=O)([O-])[O-].[K+].[K+].COCCOC>O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[C:12]([O:16][C:17]([C:19]1[CH:24]=[C:23]([C:9]2[CH:8]=[CH:7][C:3]([C:4]([OH:6])=[O:5])=[C:2]([Cl:1])[N:10]=2)[CH:22]=[CH:21][CH:20]=1)=[O:18])([CH3:15])([CH3:13])[CH3:14] | 1 |
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