smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N[C:2]1[C:10]2[C:9]3[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=3[O:7][C:6]=2[C:5]([O:15][CH3:16])=[CH:4][CH:3]=1.N([O-])=O.[Na+].[S:21](=[O:23])=[O:22].[ClH:24]>C(O)(=O)C.O.C(O)(=O)C.C1C=CC=CC=1>[CH3:16][O:15][C:5]1[C:6]2[O:7][C:8]3[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=3[C:10]=2[C:2]([S:21]([Cl:24])(=[O:23])=[O:22])=[CH:3][CH:4]=1 | 1 |
[CH3:1][N:2]([CH3:52])[C@@H:3]([C@H:5]1[C@@H:9]2[C@@H:10]3[C@@:23]([CH3:26])([CH2:24][CH2:25][C@@:8]2([NH:41][CH2:42][CH2:43][N:44]2[CH2:49][CH2:48][S:47](=[O:51])(=[O:50])[CH2:46][CH2:45]2)[CH2:7][CH2:6]1)[C@@:22]1([CH3:27])[C@@H:13]([C@:14]2([CH3:40])[C@@H:19]([CH2:20][CH2:21]1)[C:18]([CH3:29])([CH3:28])[C:17]([C:30]1[CH:39]=[CH:38][C:33]([C:34]([O:36]C)=[O:35])=[CH:32][CH:31]=1)=[CH:16][CH2:15]2)[CH2:12][CH2:11]3)[CH3:4].[C:53]([OH:59])([C:55]([F:58])([F:57])[F:56])=[O:54].O.[OH-].[Li+].O1CCCC1>CO>[CH3:52][N:2]([CH3:1])[CH:3]([C@H:5]1[C@@H:9]2[C@@H:10]3[C@@:23]([CH3:26])([CH2:24][CH2:25][C@@:8]2([NH:41][CH2:42][CH2:43][N:44]2[CH2:49][CH2:48][S:47](=[O:50])(=[O:51])[CH2:46][CH2:45]2)[CH2:7][CH2:6]1)[C@@:22]1([CH3:27])[C@@H:13]([C@:14]2([CH3:40])[C@@H:19]([CH2:20][CH2:21]1)[C:18]([CH3:29])([CH3:28])[C:17]([C:30]1[CH:31]=[CH:32][C:33]([C:34]([OH:36])=[O:35])=[CH:38][CH:39]=1)=[CH:16][CH2:15]2)[CH2:12][CH2:11]3)[CH3:4].[C:53]([OH:59])([C:55]([F:58])([F:57])[F:56])=[O:54] | 2 |
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C.BrC=1C=C(C2=C(N(C(O2)=O)C)C1)F>O1CCOCC1.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1(COB(OC1)C=1C=C(C2=C(N(C(O2)=O)C)C1)F)C | 4 |
[C:1]([CH2:3][CH2:4][CH:5]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:6]([O:8][CH3:9])=[O:7])#[N:2].C([Sn]([N:29]=[N+:30]=[N-:31])(CCCC)CCCC)CCC.Cl>CO>[C:10]1([CH:5]([CH2:4][CH2:3][C:1]2[NH:31][N:30]=[N:29][N:2]=2)[C:6]([O:8][CH3:9])=[O:7])[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1 | 1 |
N1C(CCCC1)C(=O)OCC.CC1=CC(=NC=C1)C(=O)O>>C(C)OC(=O)C1N(CCCC1)C(=O)C=1C=NC=CC1C | 5 |
N1=CC(=CC=C1)B(O)O.BrC=1C=C(C2=C(CCO2)C1)C(CC(C(F)(F)F)=O)(C)C>C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.COCCOC.CO.CN(C)C=O>FC(C(CC(C)(C1=CC(=CC=2CCOC21)C=2C=NC=CC2)C)=O)(F)F | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.Br.BrCCCN>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)NCCCBr | 3 |
ClC1=NSC(=N1)Cl.NC=1C=C(C=CC1N(C1CCOCC1)CC(C)C)C(CC(=O)OCC)(C)C>N(C)(C)C=O>ClC1=NSC(=N1)NC=1C=C(C=CC1N(C1CCOCC1)CC(C)C)C(CC(=O)OCC)(C)C | 3 |
COC=1C=C(C(=O)O)C=C(C1OC)OC.C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC1=CC2=C(SC(=C2C)C2=NC(=NC=C2)N)C=C1>CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=NC=CC(=N1)C1=C(C2=C(S1)C=CC(=C2)NC(C2=CC(=C(C(=C2)OC)OC)OC)=O)C | 3 |
[F:1][C:2]1[C:10]([O:11][C:12]2[C:21]3[C:16](=[CH:17][C:18]([O:24][CH2:25][C@H:26]4[CH2:30][CH2:29][CH2:28][N:27]4C(OC(C)(C)C)=O)=[C:19]([O:22][CH3:23])[CH:20]=3)[N:15]=[CH:14][N:13]=2)=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([CH3:38])[NH:6]2.Cl>O1CCOCC1.CO>[F:1][C:2]1[C:10]([O:11][C:12]2[C:21]3[C:16](=[CH:17][C:18]([O:24][CH2:25][C@H:26]4[CH2:30][CH2:29][CH2:28][NH:27]4)=[C:19]([O:22][CH3:23])[CH:20]=3)[N:15]=[CH:14][N:13]=2)=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([CH3:38])[NH:6]2 | 1 |
FC=1C=CC(=C(C(=O)OC)C1)OC>N(C)(C)C=O.C[O-].[Na+]>FC=1C=CC(=C(C(=O)N)C1)OC | 3 |
[Cl:1][C:2]1[C:18]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[NH:12][C:11]2[C:3]=1[N:4]=[C:5]1[C:10]=2[C:9]([F:19])=[CH:8][CH:7]=[CH:6]1.[C:20]1(C)C=CC=CC=1.O(C)S(C(F)(F)F)(=O)=O>C(OCC)C>[ClH:1].[Cl:1][C:2]1[C:18]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[NH+:12]([CH3:20])[C:11]2[C:3]=1[N:4]=[C:5]1[C:10]=2[C:9]([F:19])=[CH:8][CH:7]=[CH:6]1 | 1 |
C(CC)(=O)OC(CC)=O.CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C>O.c1ccncc1>C(CC)(=O)OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C | 3 |
[CH2:1]=[O:2].[CH3:3][C@@H:4]1[O:9][C@@H:8]([O:10][C@@H:11]2[C:16]3=[C:17]([OH:34])[C:18]4[C:30](=[O:31])[C:29]5[C:24](=[CH:25][CH:26]=[CH:27][C:28]=5[O:32][CH3:33])[C:22](=[O:23])[C:19]=4[C:20]([OH:21])=[C:15]3[CH2:14][C@@:13]([OH:38])([C:35]([CH3:37])=[O:36])[CH2:12]2)[CH2:7][C@H:6]([NH2:39])[C@@H:5]1[OH:40]>>[CH3:3][C@@H:4]1[O:9][C@@H:8]([O:10][C@@H:11]2[C:16]3=[C:17]([OH:34])[C:18]4[C:30](=[O:31])[C:29]5[C:24](=[CH:25][CH:26]=[CH:27][C:28]=5[O:32][CH3:33])[C:22](=[O:23])[C:19]=4[C:20]([OH:21])=[C:15]3[CH2:14][C@@:13]([OH:38])([C:35]([CH2:37][OH:2])=[O:36])[CH2:12]2)[CH2:7][C@H:6]([NH2:39])[C@@H:5]1[OH:40].[CH2:1]=[O:2] | 1 |
CS(=O)(=O)Cl.NC1=CC=C(C=C1)CCC1=NNC2=C1C(N(C=1N=CC=CC21)C2=CC=CC=C2)=O>>CS(=O)(=O)NC1=CC=C(C=C1)CCC1=NNC2=C1C(N(C=1N=CC=CC21)C2=CC=CC=C2)=O | 5 |
C(N(C(C)C)CC)(C)C.[NH2:10][C:11]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][C:12]=1[C:13]([NH:15][CH2:16][CH:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1)=[O:14].[F:28][C:29]1[C:30]([C:38]([F:41])([F:40])[F:39])=[C:31]([CH:35]=[CH:36][CH:37]=1)[C:32](Cl)=[O:33]>>[Cl:27][C:24]1[CH:25]=[CH:26][C:11]([NH:10][C:32](=[O:33])[C:31]2[CH:35]=[CH:36][CH:37]=[C:29]([F:28])[C:30]=2[C:38]([F:41])([F:39])[F:40])=[C:12]([C:13]([NH:15][CH2:16][CH:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)=[O:14])[CH:23]=1 | 2 |
C1C([N+]([O-])=O)=CC=C([Cl-][C:11]([O-])=[O:12])C=1.C(N(CC)CC)C.[OH:21][CH2:22][C@H:23]([NH:30][C:31](=[O:36])[CH2:32][CH2:33][CH:34]=[CH2:35])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.[Cl:37][C:38]1[CH:48]=[CH:47][C:41]([CH2:42][NH:43][CH2:44][CH:45]=[CH2:46])=[CH:40][CH:39]=1>C(Cl)Cl>[CH2:44]([N:43]([CH2:42][C:41]1[CH:40]=[CH:39][C:38]([Cl:37])=[CH:48][CH:47]=1)[C:11](=[O:12])[O:21][CH2:22][C@H:23]([NH:30][C:31](=[O:36])[CH2:32][CH2:33][CH:34]=[CH2:35])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[CH:45]=[CH2:46] | 2 |
CI.C1(CCCCC1)OCC1=CC(NC(N1)=S)=O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+]>C1(CCCCC1)OCC1=CC(NC(=N1)SC)=O | 3 |
O.[SH-].[Na+].CC1(CC(=NO1)S(=O)(=O)C)C.O.O.CS(=O)(=O)OO.[Na].BrC(C(F)(F)F)C1=C(C=CC=C1F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=C(C(=CC=C1)F)C(C(F)(F)F)SC1=NOC(C1)(C)C | 3 |
C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)CCC1.N1C[C@@H](CC1)O>>C(C)(C)(C)OC(=O)N1[C@@H](CCC1)C(=O)N1C[C@@H](CC1)O | 5 |
BrC1=C(C=C(C(=O)O)C=C1)OC.Cl.NCCS(=O)(=O)C>>BrC1=C(C=C(C(=O)NCCS(=O)(=O)C)C=C1)OC | 5 |
[Cl:1][C:2]1[CH:7]=[C:6]2[NH:8][C:9](=[O:32])[C:10]3([CH:15]([C:16]4[CH:21]=[C:20]([F:22])[CH:19]=[CH:18][C:17]=4[CH3:23])[CH2:14][C:13](=[O:24])[NH:12][CH:11]3[C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([Cl:31])[CH:26]=3)[C:5]2=[CH:4][CH:3]=1.[CH3:33][O:34][CH:35]([Si:37]([CH3:40])([CH3:39])[CH3:38])[CH3:36].[H-].[Li+].[C:43]([O:47][C:48](=[O:53])[NH:49][CH2:50][CH2:51]Br)([CH3:46])([CH3:45])[CH3:44]>CN(C)C=O>[C:43]([O:47][C:48]([NH:49][CH2:50][CH2:51][N:12]1[C:13](=[O:24])[CH2:14][CH:15]([C:16]2[CH:21]=[C:20]([F:22])[CH:19]=[CH:18][C:17]=2[CH3:23])[C:10]2([C:5]3[C:6](=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=3)[NH:8][C:9]2=[O:32])[CH:11]1[C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([Cl:31])[CH:26]=1)=[O:53])([CH3:46])([CH3:45])[CH3:44].[CH3:33][O:34][CH:35]([Si:37]([CH3:40])([CH3:39])[CH3:38])[CH3:36] | 1 |
CO[C@@H]1[C@@H](C2=CC=CC=C2C1)NC(OC(C)(C)C)=O>O.Cl.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>CO[C@@H]1[C@@H](C2=CC=CC=C2C1)N | 3 |
[NH2:1][C:2]1[C:11]([Cl:12])=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[Br:13][CH2:14][C:15](=[O:21])[C:16]([O:18][CH2:19][CH3:20])=[O:17]>C(COC)OC>[Br-:13].[NH2:1][C:2]1[C:11]([Cl:12])=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N+:3]=1[CH2:14][C:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])=[O:21] | 1 |
C([O-])(=O)C.[K+].N[C@@H]1C2C(=CC=CC=2)C[C@H]1NC(C1NC2C(C=1)=CC(Cl)=CC=2)=O.C(O)(C(F)(F)F)=O.[Cl:36][C:37]1[CH:38]=[C:39]2[C:43](=[CH:44][CH:45]=1)[NH:42][C:41]([C:46]([NH:48][C@@H:49]1[CH2:57][C:56]3[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=3)[C@H:50]1[NH:58][CH2:59][C@@H:60]1[CH2:64][O:63]C(C)(C)[O:61]1)=[O:47])=[CH:40]2>CO.C(Cl)Cl>[Cl:36][C:37]1[CH:38]=[C:39]2[C:43](=[CH:44][CH:45]=1)[NH:42][C:41]([C:46]([NH:48][C@@H:49]1[CH2:57][C:56]3[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=3)[C@H:50]1[NH:58][CH2:59][C@@H:60]([OH:61])[CH2:64][OH:63])=[O:47])=[CH:40]2 | 1 |
BrCCC1=CC=CC=C1.[N+](=O)([O-])C=1C=C2C=CNC2=CC1>N(C)(C)C=O.CC(C)(C)[O-].[K+]>[N+](=O)([O-])C=1C=C2C=CN(C2=CC1)CCC1=CC=CC=C1 | 3 |
[OH:1][C:2]1[N:6]([C:7]2[CH:12]=[C:11]([C:13]#[N:14])[CH:10]=[CH:9][N:8]=2)[N:5]=[CH:4][CH:3]=1.[CH2:15]([C:17]1[CH:22]=[CH:21][C:20]([CH2:23]O)=[CH:19][CH:18]=1)[CH3:16]>>[CH2:15]([C:17]1[CH:22]=[CH:21][C:20]([CH2:23][O:1][C:2]2[N:6]([C:7]3[CH:12]=[C:11]([C:13]#[N:14])[CH:10]=[CH:9][N:8]=3)[N:5]=[CH:4][CH:3]=2)=[CH:19][CH:18]=1)[CH3:16] | 1 |
CN(/C=C/C=1C=C2N(C(C1C#N)=O)NC=C2)C>CO[H].[HH].[Pd]>CN(CCC=1C=C2N(C(C1C#N)=O)NC=C2)C | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[CH2:13][NH2:14])=[O:7])([CH3:4])([CH3:3])[CH3:2].[Br:15][C:16]1[CH:24]=[CH:23][C:19]([C:20](O)=[O:21])=[CH:18][CH:17]=1.CN1CCOCC1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[CH2:13][NH:14][C:20](=[O:21])[C:19]1[CH:23]=[CH:24][C:16]([Br:15])=[CH:17][CH:18]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
O=C1NC=CC(=C1)CCN1C(C2=CC=CC=C2C1=O)=O>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+]>CN1C(C=C(C=C1)CCN1C(C2=CC=CC=C2C1=O)=O)=O | 3 |
C(=O)(OC(C)(C)C)NCCN.FC=1C=C(OC2=CC(=NC=C2)C2=CC(=CN2)C(=O)O)C=CC1NC(=O)NC1=C(C=CC(=C1)C)F>>FC=1C=C(OC2=CC(=NC=C2)C2=CC(=CN2)C(=O)NCCNC(OC(C)(C)C)=O)C=CC1NC(=O)NC1=C(C=CC(=C1)C)F | 5 |
[CH3:1][Si:2]([CH3:26])([CH3:25])[C:3]1[CH:24]=[CH:23][CH:22]=[CH:21][C:4]=1[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]([CH3:20])([OH:19])[C:14](OCC)=[O:15])=[CH:9][CH:8]=1.[C:27](N1C=CN=C1)(N1C=CN=C1)=[O:28].[C:39]1([NH:45][NH2:46])[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1.C(O)(=O)C>C(Cl)Cl.C(OCC)C>[CH3:20][C:13]1([C:10]2[CH:9]=[CH:8][C:7]([O:6][CH2:5][C:4]3[CH:21]=[CH:22][CH:23]=[CH:24][C:3]=3[Si:2]([CH3:1])([CH3:26])[CH3:25])=[CH:12][CH:11]=2)[O:19][C:27](=[O:28])[N:46]([NH:45][C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[C:14]1=[O:15] | 1 |
C(OC(=O)C[C@@H](NC(OC(C)(C)C)=O)C(N[C@H](C(=O)NC)C(C)(C)C)=O)C1C=CC=CC=1.[NH2:33][C@H:34]([C:39]1[NH:40][CH:41]=[CH:42][N:43]=1)[CH2:35][CH:36]([CH3:38])[CH3:37].Cl.[CH2:45]([O:52][C:53](=[O:76])[CH2:54][C@@H:55]([N:59]1[CH:63]=[CH:62][C:61]([C:64]2[CH:69]=[CH:68][C:67]([C:70]3[CH:75]=[CH:74][N:73]=[CH:72][CH:71]=3)=[CH:66][CH:65]=2)=[CH:60]1)[C:56](O)=[O:57])[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>>[CH2:45]([O:52][C:53](=[O:76])[CH2:54][C@@H:55]([N:59]1[CH:63]=[CH:62][C:61]([C:64]2[CH:65]=[CH:66][C:67]([C:70]3[CH:75]=[CH:74][N:73]=[CH:72][CH:71]=3)=[CH:68][CH:69]=2)=[CH:60]1)[C:56]([NH:33][C@H:34]([C:39]1[NH:43][CH:42]=[CH:41][N:40]=1)[CH2:35][CH:36]([CH3:38])[CH3:37])=[O:57])[C:46]1[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=1 | 1 |
[N:1]1([C:6]2[CH:11]=[CH:10][N:9]=[C:8]([CH2:12]O)[CH:7]=2)[CH:5]=[CH:4][CH:3]=[CH:2]1.S(Cl)([Cl:16])=O.O>ClCCl>[Cl:16][CH2:12][C:8]1[CH:7]=[C:6]([N:1]2[CH:5]=[CH:4][CH:3]=[CH:2]2)[CH:11]=[CH:10][N:9]=1 | 2 |
C(C1=CC=CC=C1)OC(N(C)C(C)C(NC(C(=O)N1C2C(CC1)N(CC2C(NC2CCCC1=CC=CC=C21)=O)C(=O)C2CC2)C2CCCCC2)=O)=O>>C1(CCCC2=CC=CC=C12)NC(=O)C1C2C(N(C1)C(=O)C1CC1)CCN2C(C(NC(C(C)NC)=O)C2CCCCC2)=O | 5 |
IC=1OC(=CN1)C1=CC=CC(=N1)NC1=NC=CC(=C1)C>>CC1=CC(=NC=C1)NC1=NC(=CC=C1)C1=CN=C(O1)C1=CC=CC=C1 | 5 |
CI.C(C)OC(C(CC=1NC(=C(N1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C=1C=C(C=CC1)C)=O>>COC(C(CC=1N(C(=C(N1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C)C=1C=C(C=CC1)C)=O | 5 |
ClCC=1C(=NC(=CC1)C)C>>CC1=NC(=CC=C1CN)C | 5 |
CC(C(=O)OC(C)(C)C)(CC(=O)O[C@@H]1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5(C([C@H]4CC[C@@H]3[C@]2(CC1)C)=C(C(C5)=O)C(C)C)\C=C\C(=O)NC5=CC=C(C=C5)Cl)C)C)(C)C)C>CC#N.ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.O.ClC1=CC=C(C=C1)NC(/C=C/[C@]12C([C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)OC(CC(C(=O)O)(C)C)=O)C)=C(C(C2)=O)C(C)C)=O | 3 |
[C:1]([O:9][C@H:10](CO)[C@@:11]1([CH2:32][O:33][C:34](=[O:41])[C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[O:19][CH:14](OC(=O)C)[C@H:13]([O:20][C:21](=[O:23])[CH3:22])[C@H:12]1[O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:44]1[CH:52]=[C:50]([CH3:51])[C:48](=[O:49])[NH:47][C:45]1=[O:46].C/C(/O[Si](C)(C)C)=N\[Si](C)(C)C.O([Si](C)(C)C)S(C(F)(F)F)(=O)=O.C(=O)([O-])O.[Na+]>C(#N)C>[C:21]([O:20][C@@H:13]1[C@@H:12]([O:24][CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)[C:11]([CH2:32][O:33][C:34](=[O:41])[C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)([CH2:10][O:9][C:1](=[O:8])[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[O:19][C@H:14]1[N:44]1[CH:52]=[C:50]([CH3:51])[C:48](=[O:49])[NH:47][C:45]1=[O:46])(=[O:23])[CH3:22] | 1 |
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([NH2:11])=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.C(N(CC)C(C)C)(C)C.Br[CH2:22][C:23]1[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][C:24]=1[C:25](OCC)=[O:26].O[Li].O>C(O)C.O>[CH3:35][O:34][C:31]1[CH:30]=[C:24]2[C:23]([CH2:22][N:11]([C:7]3[CH:6]=[C:5]4[C:10](=[CH:9][CH:8]=3)[N:1]=[CH:2][CH:3]=[CH:4]4)[C:25]2=[O:26])=[CH:33][CH:32]=1 | 2 |
Cl.C12(CC(C1)C2)N.ClC1=C(C=C2C(=N1)OC(=C2C(NC)=O)C2=CC=C(C=C2)F)C=2C=C(C(=O)O)C=CC2>N(C)(C)C=O.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>C12(CC(C1)C2)NC(=O)C=2C=C(C=CC2)C=2C=C1C(=NC2Cl)OC(=C1C(=O)NC)C1=CC=C(C=C1)F | 3 |
[C-]#N.[Na+].BrC=1C=NC(=NC1)Cl>O.ClCCl.CS(=O)C.N12CCN(CC1)CC2>BrC=1C=NC(=NC1)C#N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC=C2C(=N1)C=CN2>>C(C)(C)(C)OC(=O)N1C=CC2=NC(=CC=C21)OC | 5 |
C(C)(=O)NC=1SC=C(N1)C=1NC(=C(C(N1)C1=C(C=C(C=C1)F)Cl)C(=O)OCC)C>Cl>NC=1SC=C(N1)C=1NC(=C(C(N1)C1=C(C=C(C=C1)F)Cl)C(=O)OCC)C | 3 |
[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([NH:11][C:12]3[CH:17]=[C:16](N)[CH:15]=[CH:14][N:13]=3)=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1.[I-:19].[K+].II>COCCOC.[Cu]I>[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([NH:11][C:12]3[CH:17]=[C:16]([I:19])[CH:15]=[CH:14][N:13]=3)=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1 | 1 |
CO.[BH4-].[Na+].[CH2:5]([N:12]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C@H:13]([C:15](=[O:20])[CH:16]=[C:17]([CH3:19])[CH3:18])[CH3:14])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[Cl-].[Ce+3].[Cl-].[Cl-]>O>[CH2:5]([N:12]([CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)[C@H:13]([CH:15]([OH:20])[CH:16]=[C:17]([CH3:18])[CH3:19])[CH3:14])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
I[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)=[CH:4][CH:3]=1.[CH2:22]([O:29][C:30]([N:32]1[CH2:37][CH2:36][NH:35][C:34](=[O:38])[CH2:33]1)=[O:31])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].CNCCNC>O1CCOCC1.[Cu]I>[CH3:19][C:18]([O:17][C:15]([N:12]1[CH2:13][CH2:14][CH:9]([O:8][C:5]2[CH:6]=[CH:7][C:2]([N:35]3[CH2:36][CH2:37][N:32]([C:30]([O:29][CH2:22][C:23]4[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=4)=[O:31])[CH2:33][C:34]3=[O:38])=[CH:3][CH:4]=2)[CH2:10][CH2:11]1)=[O:16])([CH3:21])[CH3:20] | 2 |
BrC1=C(C=CC=C1)C.C[C@@H]1CN(C[C@@H](N1)C)C(=O)OC(C)(C)C>O1CCOCC1.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>CC1CN(CC(N1C=1C=C(C=CC1)C)C)C(=O)OC(C)(C)C | 3 |
ClC1=NC=C(C(=O)O)C(=C1)NC1CC1.NCC(C(C)(O)C)(F)F>>ClC1=NC=C(C(=O)NCC(C(C)(C)O)(F)F)C(=C1)NC(C)C | 5 |
[CH2:1]([O:8][C:9]([NH:11][CH2:12][C:13]([OH:15])=O)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[CH3:20][O:21][C:22]1[CH:28]=[CH:27][C:25]([NH2:26])=[C:24]([N+:29]([O-:31])=[O:30])[CH:23]=1.C(N(CC)CC)C>C(Cl)Cl>[CH2:1]([O:8][C:9]([NH:11][CH2:12][C:13]([NH:26][C:25]1[CH:27]=[CH:28][C:22]([O:21][CH3:20])=[CH:23][C:24]=1[N+:29]([O-:31])=[O:30])=[O:15])=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[F:1][C:2]([F:15])([C:11]([F:14])([F:13])[F:12])[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][CH:5]=1.N(C(C)(C)C#N)=NC(C)(C)C#N.[Br:28]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[Br:28][CH2:10][C:7]1[CH:6]=[CH:5][C:4]([CH2:3][C:2]([F:15])([F:1])[C:11]([F:13])([F:12])[F:14])=[CH:9][CH:8]=1 | 1 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8](=[O:12])[N:9]([CH3:11])[N:10]=2)[N:7]=1.[C:13]1([CH:19]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[O:20][CH:21]2[CH2:26][CH2:25][N:24]([CH2:27][CH2:28][CH2:29][NH2:30])[CH2:23][CH2:22]2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(=O)([O-])O.[Na+]>CN(C)C=O>[C:31]1([CH:19]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[O:20][CH:21]2[CH2:26][CH2:25][N:24]([CH2:27][CH2:28][CH2:29][NH:30][C:2]3[CH:3]=[CH:4][C:5]4[N:6]([C:8](=[O:12])[N:9]([CH3:11])[N:10]=4)[N:7]=3)[CH2:23][CH2:22]2)[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1 | 1 |
C(C)(C)(C)OC(=O)N1CC(C1)OC=1N(C2=C(C=NC(=C2)NC2=NC(=NC=C2)C=2C=NN(C2)S(=O)(=O)C2CC2)N1)C(C)C>>N1CC(C1)OC=1N(C2=C(C=NC(=C2)NC2=NC(=NC=C2)C=2C=NNC2)N1)C(C)C | 5 |
S1C=NC=C1C=O.C(#N)C=1C=C2C[C@@H](CNC2=CC1)NS(=O)(=O)C1=CC=CC=C1>>C(#N)C=1C=C2C[C@@H](CN(C2=CC1)CC1=CN=CS1)NS(=O)(=O)C1=CC=CC=C1 | 5 |
C(#N)C1=CC(=C(C(=O)NC=2C=NC=CC2)C=C1)F>>NCC1=CC(=C(C(=O)NC=2C=NC=CC2)C=C1)F | 5 |
C(C)N(CC)CC.C(C)#N.OC=1C(=NC=CC1OC)C(=O)O.NC=1N=C(SC1)C1CCN(CC1)C(CN1N=C(C=C1C)C(F)(F)F)=O>ON1N=NC2=C1N=CC=C2.C1(=CC=C(C=C1)C)C=C.C(=N)=C>CC1=CC(=NN1CC(=O)N1CCC(CC1)C=1SC=C(N1)NC(=O)C1=NC=CC(=C1O)OC)C(F)(F)F | 3 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][CH2:12][CH3:13])=[C:4](Cl)[N:3]=1.[CH2:15]([NH2:22])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.C(N(CC)CC)C>CCCCO>[CH2:15]([NH:22][C:4]1[N:3]=[C:2]([Cl:1])[N:10]=[C:9]2[C:5]=1[N:6]=[CH:7][N:8]2[CH2:11][CH2:12][CH3:13])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 2 |
CC1(C=2C=CC=CC2C(CC1)(C)C)C>O.[N+](=O)(O)[O-].C(C)(=O)OC(C)=O.C(C)(=O)O>[N+](=O)([O-])C1=CC=2C(CCC(C2C=C1)(C)C)(C)C | 3 |
[Si:1](Cl)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH2:9]([O:11][C:12]([C@@:14]1([NH:19][C:20]([N:22]2[CH2:26][C@H:25]([OH:27])[CH2:24][C@H:23]2[C:28](=[O:37])[N:29]([CH2:31][CH2:32][CH2:33][CH2:34][CH:35]=[CH2:36])[CH3:30])=[O:21])[CH2:16][C@@H:15]1[CH:17]=[CH2:18])=[O:13])[CH3:10]>C(Cl)Cl>[CH2:9]([O:11][C:12]([C@@:14]1([NH:19][C:20]([N:22]2[CH2:26][C@H:25]([O:27][Si:1]([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2])[CH2:24][C@H:23]2[C:28](=[O:37])[N:29]([CH2:31][CH2:32][CH2:33][CH2:34][CH:35]=[CH2:36])[CH3:30])=[O:21])[CH2:16][C@@H:15]1[CH:17]=[CH2:18])=[O:13])[CH3:10] | 1 |
NC1N(C(=NC(=N1)Cl)OC)C(F)F.[N+](=O)([O-])C1=C(C=CC=C1)S(=O)(=O)N=C=O>>ClC1=NC(N(C(=N1)OC)C(F)F)NC(=O)NS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] | 5 |
[C:1]1([CH3:17])[CH:6]=[CH:5][C:4]([S:7]([N:10]2[CH:14]=[CH:13][N:12]=[C:11]2[CH2:15]O)(=[O:9])=[O:8])=[CH:3][CH:2]=1.C(Br)(Br)(Br)[Br:19].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C(Cl)Cl>[Br:19][CH2:15][C:11]1[N:10]([S:7]([C:4]2[CH:5]=[CH:6][C:1]([CH3:17])=[CH:2][CH:3]=2)(=[O:9])=[O:8])[CH:14]=[CH:13][N:12]=1 | 1 |
ClC1=NC=C(C(=O)N)C=C1.CC=1C=CC=C2C=CC=[N+](C12)[O-]>>CC=1C=CC=C2C=CC(=NC12)N1C=C(C=CC1=O)C(=O)N | 5 |
[CH3:1][CH:2]1[C:7]([C:8]2[CH:13]=[CH:12][C:11]([N:14]([C:16](=O)[C:17]3[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=3)[CH3:15])=[C:10]([N+:26]([O-])=O)[CH:9]=2)=[N:6][NH:5][C:4](=[O:29])[CH2:3]1.[H][H]>C(O)C.[Pd]>[CH3:15][N:14]1[C:11]2[CH:12]=[CH:13][C:8]([C:7]3[CH:2]([CH3:1])[CH2:3][C:4](=[O:29])[NH:5][N:6]=3)=[CH:9][C:10]=2[N:26]=[C:16]1[C:17]1[CH:18]=[CH:19][C:20]([O:23][CH3:24])=[CH:21][CH:22]=1 | 1 |
[Cl:1][C:2]1[N:6]2[C:7]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][C:8]=3[C@@H:9]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH3:25])[C:19]=3[O:26][CH3:27])[O:10][C@H:11]([CH2:12][CH:13]3OCC[O:14]3)[C:5]2=[N:4][C:3]=1[Cl:33].Cl(O)(=O)(=O)=O>ClC(Cl)C>[Cl:1][C:2]1[N:6]2[C:7]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][C:8]=3[C@@H:9]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH3:25])[C:19]=3[O:26][CH3:27])[O:10][C@H:11]([CH2:12][CH2:13][OH:14])[C:5]2=[N:4][C:3]=1[Cl:33] | 2 |
[C:1]([NH:8][C@@H:9]([C:13]([OH:15])=O)[CH:10]([CH3:12])[CH3:11])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].Cl.[F:17][C:18]1[CH:26]=[C:25]2[C:21]([C:22]([C:27]3[CH:28]=[N:29][N:30]([CH:32]4[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]4)[CH:31]=3)=[CH:23][NH:24]2)=[CH:20][CH:19]=1>>[F:17][C:18]1[CH:26]=[C:25]2[C:21]([C:22]([C:27]3[CH:28]=[N:29][N:30]([CH:32]4[CH2:37][CH2:36][N:35]([C:13](=[O:15])[C@H:9]([NH:8][C:1](=[O:2])[O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[CH:10]([CH3:11])[CH3:12])[CH2:34][CH2:33]4)[CH:31]=3)=[CH:23][NH:24]2)=[CH:20][CH:19]=1 | 2 |
[CH3:1][S:2][C:3]1[S:4][C:5]2[C:10](=O)[NH:9][CH:8]=[N:7][C:6]=2[N:12]=1.P(Cl)(Cl)([Cl:15])=O>>[Cl:15][C:10]1[C:5]2[S:4][C:3]([S:2][CH3:1])=[N:12][C:6]=2[N:7]=[CH:8][N:9]=1 | 1 |
ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)OC(F)F)O>>Cl.ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)OC(F)F)O | 5 |
[C:1]1([NH:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[NH2:14])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[F:22][C:23]1[CH:31]=[CH:30][CH:29]=[CH:28][C:24]=1[C:25](Cl)=O.CCOCC>ClCCl>[F:22][C:23]1[CH:31]=[CH:30][CH:29]=[CH:28][C:24]=1[C:25]1[N:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[N:14]=1 | 1 |
ClC=1C2=C(N=CN1)CCC2>>ClC1=C2C(=[N+](C=N1)[O-])CCC2 | 5 |
[C:1](Cl)(=O)[C:2]([Cl:4])=[O:3].[Br:7][C:8]1[CH:9]=C[C:11]([F:17])=[C:12]([CH:16]=1)C(O)=O>ClCCl.CN(C)C=O>[Br:7][C:8]1[CH:16]=[CH:12][C:11]([F:17])=[C:1]([CH:9]=1)[C:2]([Cl:4])=[O:3] | 1 |
C1(CCCCC1)NC1=C(C=C(CO)C=C1)[N+](=O)[O-]>>NC=1C=C(C=CC1NC1CCCCC1)CO | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([O:7][CH2:8][CH2:9][OH:10])[CH:2]=1.[Cl:11][C:12]1[C:13]([N:18]2[CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][C@H:19]2[CH3:31])=[N:14][CH:15]=[CH:16][N:17]=1>>[ClH:11].[CH3:31][C@@H:19]1[CH2:20][NH:21][CH2:22][CH2:23][N:18]1[C:13]1[C:12]([O:10][CH2:9][CH2:8][O:7][C:3]2[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=2)=[N:17][CH:16]=[CH:15][N:14]=1 | 1 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[CH:15]=[CH:14][CH:13]=[C:12]3[C:8]=2[CH2:9][C:10](=[O:16])[NH:11]3)=[CH:3][CH:2]=1.[N:17]1[CH:22]=[CH:21][C:20]([NH:23][C:24]([C:26]2[C:30]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)=[C:29]([CH:37]=O)[NH:28][C:27]=2[CH3:39])=[O:25])=[CH:19][CH:18]=1>>[N:17]1[CH:22]=[CH:21][C:20]([NH:23][C:24]([C:26]2[C:30]([C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=3)=[C:29]([CH:37]=[C:9]3[C:8]4[C:12](=[CH:13][CH:14]=[CH:15][C:7]=4[C:4]4[CH:5]=[CH:6][N:1]=[CH:2][CH:3]=4)[NH:11][C:10]3=[O:16])[NH:28][C:27]=2[CH3:39])=[O:25])=[CH:19][CH:18]=1 | 1 |
C(C)(C)OB1OC(C(O1)(C)C)(C)C.BrC1=CC=C(C=C1)N(C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C=C1>C1CCCO1.C(CCC)[Li]>C1=C(C=CC2=CC=CC=C12)N(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)C1=CC2=CC=CC=C2C=C1 | 3 |
[Cl:1][C:2]1[C:6]2[C:7]3[N:8]([C:11]([CH2:14][CH3:15])=[N:12][N:13]=3)C=[N:10][C:5]=2[S:4][CH:3]=1.CNCCN>CO.[Cl-].[NH4+]>[Cl:1][C:2]1[C:6]([C:7]2[NH:13][N:12]=[C:11]([CH2:14][CH3:15])[N:8]=2)=[C:5]([NH2:10])[S:4][CH:3]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([Cl:31])[C:5](=[O:30])[N:6]([CH2:18][CH2:19][C:20]2[CH:29]=[CH:28][C:23]([C:24]([O:26]C)=[O:25])=[CH:22][CH:21]=2)[C:7]=1[CH2:8][N:9]1[CH2:13][CH2:12][CH2:11][C@@H:10]1[CH2:14][CH:15]([CH3:17])[CH3:16].Cl.[OH-].[Na+].O>O1CCOCC1>[Br:1][C:2]1[CH:3]=[C:4]([Cl:31])[C:5](=[O:30])[N:6]([CH2:18][CH2:19][C:20]2[CH:21]=[CH:22][C:23]([C:24]([OH:26])=[O:25])=[CH:28][CH:29]=2)[C:7]=1[CH2:8][N:9]1[CH2:13][CH2:12][CH2:11][C@@H:10]1[CH2:14][CH:15]([CH3:16])[CH3:17] | 2 |
BrC1=CC=CC(=N1)NC1=NC=CC(=N1)C(F)(F)F.N1N=CC(=C1)CCC(=O)OCC>>FC(C1=CC(=NC=C1)NC1=CC=CC(=N1)N1N=CC(=C1)CCC(=O)O)(F)F | 5 |
ClC=1C(=NC(=NC1)NC=1C=CC2=CN(N=C2C1)C)NC1CCN(CC1)C(=O)OC(C)(C)C>>ClC=1C(=NC(=NC1)NC=1C=CC2=CN(N=C2C1)C)NC1CCNCC1 | 5 |
[F:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[CH:12][N:11]=[CH:10][C:9]=2[N+:14]([O-])=O)[CH2:4][CH:3]1[N:17]1[C:25](=[O:26])[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:18]1=[O:27]>C(O)C.C(OCC)(=O)C>[NH2:14][C:9]1[CH:10]=[N:11][CH:12]=[CH:13][C:8]=1[N:5]1[CH2:6][CH2:7][CH:2]([F:1])[CH:3]([N:17]2[C:18](=[O:27])[C:19]3[C:24](=[CH:23][CH:22]=[CH:21][CH:20]=3)[C:25]2=[O:26])[CH2:4]1 | 1 |
[C:1]1([C:7]2([C:15]([OH:17])=[O:16])[CH2:10][C:9](OC)([O:11]C)[CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CCCl)C(C)C)(C)C>CC(O)=O>[C:1]1([C:7]2([C:15]([OH:17])=[O:16])[CH2:8][C:9](=[O:11])[CH2:10]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
COC=1C=C(C=C(C1OC)[N+](=O)[O-])C1=CC=NN1C=1C(=NC=CC1)C(F)(F)F>>COC=1C=C(C=C(C1OC)[N+](=O)[O-])C1=CC=NN1C=1C(=[N+](C=CC1)[O-])C(F)(F)F | 5 |
C=CC[C@@H](C(=O)O)N>O.CN.Cl.C(C)(=O)O.N(=O)[O-].[Na+]>O[C@H](C(=O)O)CC=C | 3 |
[C:1](=[O:3])=O.Cl.[CH2:5]([O:7][C:8](=[O:14])[C@H:9]([CH:11]([CH3:13])[CH3:12])[NH2:10])[CH3:6].C(N(CC)CC)C.P(Cl)(Cl)(Cl)=O>ClCCl.C(OCC)C>[N-:10]=[C:1]=[O:3].[CH2:5]([O:7][C:8](=[O:14])[C@H:9]([CH:11]([CH3:13])[CH3:12])[NH2:10])[CH3:6] | 1 |
C1(CC1)C(=O)Cl.FC(C(/C=C/C1=CC=C(C=C1)NN)C1=CC(=C(C(=C1)Cl)Cl)Cl)(F)F>>FC(C(/C=C/C1=CC=C(C=C1)NNC(=O)C1CC1)C1=CC(=C(C(=C1)Cl)Cl)Cl)(F)F | 5 |
Cl[C:2]1[CH:7]=[C:6]([CH:8]([S:17][C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)[C:9]2[CH:14]=[C:13]([F:15])[CH:12]=[CH:11][C:10]=2[F:16])[C:5]([Cl:25])=[CH:4][N:3]=1.[C:26]([O:30][C:31](=[O:36])[NH:32][CH2:33][CH2:34][NH2:35])([CH3:29])([CH3:28])[CH3:27]>O1CCOCC1>[Cl:25][C:5]1[C:6]([CH:8]([S:17][C:18]2[CH:19]=[CH:20][C:21]([Cl:24])=[CH:22][CH:23]=2)[C:9]2[CH:14]=[C:13]([F:15])[CH:12]=[CH:11][C:10]=2[F:16])=[CH:7][C:2]([NH:35][CH2:34][CH2:33][NH:32][C:31](=[O:36])[O:30][C:26]([CH3:28])([CH3:27])[CH3:29])=[N:3][CH:4]=1 | 1 |
[CH3:1][C:2]([CH3:28])([CH2:7][O:8][C:9]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:3]([O:5]C)=[O:4].[OH-].[K+]>C(O)CO.C(OCC)(=O)C>[CH3:1][C:2]([CH3:28])([CH2:7][O:8][C:9]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)([C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:3]([OH:5])=[O:4] | 1 |
C(C(C)(C)C)O.BrC1=CC(=C(C(=O)O)C=C1)C>ClS(Cl)=O.c1ccncc1>CC1=C(C(=O)OCC(C)(C)C)C=CC(=C1)Br | 3 |
[CH2:1]([C@H:8]([NH2:11])[CH2:9]O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl-].ClC[C@@H]([NH3+])CC1C=CC=CC=1.[CH3:24][C:25]1[CH:30]=[C:29]([N+:31]([O-:33])=[O:32])[CH:28]=[CH:27][C:26]=1[N:34]=[C:35]=[S:36]>>[CH3:24][C:25]1[CH:30]=[C:29]([N+:31]([O-:33])=[O:32])[CH:28]=[CH:27][C:26]=1[N:34]=[C:35]1[NH:11][C@@H:8]([CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH2:9][S:36]1 | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.N[C@@H](C(C)(C)C)C(=O)O.C(C=C)C1(CC1)CCO>O1CCOCC1.C(C)(C)N(C(C)C)CC>C(C=C)C1(CC1)CCOC(=O)N[C@H](C(=O)O)C(C)(C)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12]([O:14]C)=[O:13])[C:6]([CH3:16])=[C:5]2[CH2:17][C:18]1[CH:23]=[CH:22][C:21](=[O:24])[N:20]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[F:32])[CH:19]=1.O.[OH-].[Li+]>>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][C:12]([OH:14])=[O:13])[C:6]([CH3:16])=[C:5]2[CH2:17][C:18]1[CH:23]=[CH:22][C:21](=[O:24])[N:20]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[F:32])[CH:19]=1 | 2 |
Br.[CH3:2][O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][N:9]1[C:13]([CH3:14])=[C:12]([CH3:15])[S:11][C:10]1=[NH:16].[C:17]12([C:27](O)=[O:28])[CH2:26][CH:21]3[CH2:22][CH:23]([CH2:25][CH:19]([CH2:20]3)[CH2:18]1)[CH2:24]2.C1(N=C=NC2CCCCC2)CCCCC1.O.ON1C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>CC(N(C)C)=O>[CH3:2][O:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][N:9]1[C:13]([CH3:14])=[C:12]([CH3:15])[S:11]/[C:10]/1=[N:16]\[C:27]([C:17]12[CH2:26][CH:21]3[CH2:20][CH:19]([CH2:25][CH:23]([CH2:22]3)[CH2:24]1)[CH2:18]2)=[O:28] | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[CH2:14][CH2:13][C@H:12]([OH:15])[CH2:11][CH2:10]2)=[CH:5][CH:4]=1.C(N(CC)CC)C.[CH3:23][S:24](Cl)(=[O:26])=[O:25]>O1CCCC1>[CH3:23][S:24]([O:15][C@H:12]1[CH2:13][CH2:14][C@@H:9]([C:6]2[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:8][CH:7]=2)[CH2:10][CH2:11]1)(=[O:26])=[O:25] | 2 |
[OH:1][C@:2]1([CH2:9][NH:10][C:11]([C:13]2[C:14]3[CH:15]=[CH:16][C:17](Cl)=[N:18][C:19]=3[CH:20]=[CH:21][C:22]=2[Cl:23])=[O:12])[CH2:7][CH2:6][CH2:5][C@@H:4]([CH3:8])[CH2:3]1.CCN(C(C)C)C(C)C.Cl.Cl.[N:36]1([CH:41]2[CH2:45][CH2:44][NH:43][CH2:42]2)[CH2:40][CH2:39][CH2:38][CH2:37]1>>[OH:1][C@:2]1([CH2:9][NH:10][C:11]([C:13]2[C:14]3[CH:15]=[CH:16][C:17]([N:43]4[CH2:44][CH2:45][CH:41]([N:36]5[CH2:40][CH2:39][CH2:38][CH2:37]5)[CH2:42]4)=[N:18][C:19]=3[CH:20]=[CH:21][C:22]=2[Cl:23])=[O:12])[CH2:7][CH2:6][CH2:5][C@@H:4]([CH3:8])[CH2:3]1 | 1 |
FC=1C=C(C(=O)Cl)C=CC1C(F)(F)F.CN1N=CC=C1C=1C=C(C=CC1OCCN1CCCC1)N>>FC=1C=C(C(=O)NC2=CC(=C(C=C2)OCCN2CCCC2)C=2N(N=CC2)C)C=CC1C(F)(F)F | 5 |
ClC=1C=C(C=CC1OC)B(O)O.ClC=1N=C(C2=C(N1)N(CC2)C2=CC=C(C=C2)CC(=O)OCC)C>ClCCl.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=C(C=CC1OC)C=1N=C(C2=C(N1)N(CC2)C2=CC=C(C=C2)CC(=O)OCC)C | 3 |
N[C@H]1C[C@@](CCC1)(C)NC(OCC1=CC=CC=C1)=O.ClC1=NC=C(C(=N1)C1=CNC2=C(C=CC=C12)C)C(F)(F)F>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>C[C@]1(C[C@@H](CCC1)NC1=NC=C(C(=N1)C1=CNC2=C(C=CC=C12)C)C(F)(F)F)NC(OCC1=CC=CC=C1)=O | 3 |
BrC1=CC=CC(=N1)C(=O)O.C1(=CCCCC1)B(O)O>O.C([O-])([O-])=O.[K+].[K+].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]>C1(=CCCCC1)C1=CC=CC(=N1)C(=O)O | 3 |
C[O:2][C:3]([C@@H:5]1[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C@@H:6]1[N:13]([CH2:34][C:35]1[CH:40]=[CH:39][C:38]([F:41])=[CH:37][CH:36]=1)[C:14](=[O:33])[CH2:15][C:16]1[NH:21][C:20]2[CH:22]=[CH:23][C:24]([NH:26][S:27]([CH3:30])(=[O:29])=[O:28])=[CH:25][C:19]=2[S:18](=[O:32])(=[O:31])[N:17]=1)=O.[O-]CC.[Na+].Cl>C(O)C>[F:41][C:38]1[CH:39]=[CH:40][C:35]([CH2:34][N:13]2[C:14](=[O:33])[C:15]([C:16]3[NH:21][C:20]4[CH:22]=[CH:23][C:24]([NH:26][S:27]([CH3:30])(=[O:29])=[O:28])=[CH:25][C:19]=4[S:18](=[O:32])(=[O:31])[N:17]=3)=[C:3]([OH:2])[CH:5]3[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH:6]23)=[CH:36][CH:37]=1 | 1 |
COC1=NC(=NC(=C1)OC)N1CCNCC1.CC1=CC=C(C=C1)S(=O)(=O)OCCCCC1=CNC2=CC=CC=C12>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>COC1=NC(=NC(=C1)OC)N1CCN(CC1)CCCCC1=CNC2=CC=CC=C12 | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.