smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([O:8][C:9]1[C:10]([NH:16][C:17]([NH2:19])=[S:18])=[N:11][CH:12]=[C:13]([Br:15])[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.Br[CH2:28][C:29]([CH:31]1[CH2:36][CH2:35][N:34](C(OC(C)(C)C)=O)[CH2:33][CH2:32]1)=O.[ClH:44]>>[ClH:44].[ClH:44].[CH2:1]([O:8][C:9]1[C:10]([NH:16][C:17]2[S:18][CH:28]=[C:29]([CH:31]3[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]3)[N:19]=2)=[N:11][CH:12]=[C:13]([Br:15])[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
BrC=1C(=NC=C(N1)Cl)N.FC=1C=C(C=NC1OC)B(O)O>ClCCl.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].C(C)(C)N(C(C)C)CC>BrC=1C(=NC=C(N1)Cl)NC=1C=NC(=C(C1)F)OC | 3 |
Cl.N[C@H](C)C(=O)N.FC(C(/C=C/C1=CC(=C(C(=O)Cl)C=C1)C(F)(F)F)C1=CC(=C(C(=C1)Cl)Cl)Cl)(F)F>ClCCCl.CN1CCOCC1>NC([C@@H](C)NC(C1=C(C=C(C=C1)\C=C\C(C(F)(F)F)C1=CC(=C(C(=C1)Cl)Cl)Cl)C(F)(F)F)=O)=O | 3 |
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)C(CCCCCN)O>C1CCCO1.C(=O)(Cl)Cl>ClC(=O)OC(CCCCCN)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 | 3 |
C(=O)OCC.NCCCCCCCCCC=C>>C(=O)NCCCCCCCCCC=C | 3 |
C[S-].[Na+].C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)Br)NC(OCC1=CC=CC=C1)=O)C)C1CC1>>C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)S(=O)(=O)C)NC(OCC1=CC=CC=C1)=O)C)C1CC1 | 5 |
ClC1=C(C(=O)Cl)C=CC(=C1)F.FC=1C=C(C=C(C1)N(C1CCN(CC1)C)C)N>>ClC1=C(C(=O)NC2=CC(=CC(=C2)N(C2CCN(CC2)C)C)F)C=CC(=C1)F | 3 |
C(C(=O)C)(=O)O.FC1=C(C=CC(=C1F)F)[N+](=O)[O-]>[HH].[Pd].CC(C)O>FC1=C(NC(C(=O)O)C)C=CC(=C1F)F | 3 |
[Cl:1][C:2]1[CH:33]=[N:32][C:5]2=[N:6][C:7]([N:19]3[CH2:22][CH:21]([N:23](C)[C:24](=O)OC(C)(C)C)[CH2:20]3)=[C:8]([NH:10][CH2:11][CH:12](OCC)OCC)[N:9]=[C:4]2[CH:3]=1.CC1C=CC(S(O)(=O)=O)=CC=1.O.C([O-])(O)=O.[Na+]>CC(O)C>[Cl:1][C:2]1[CH:33]=[N:32][C:5]2[N:6]=[C:7]([N:19]3[CH2:20][CH:21]([NH:23][CH3:24])[CH2:22]3)[C:8]3[N:9]([CH:12]=[CH:11][N:10]=3)[C:4]=2[CH:3]=1 | 2 |
FC(F)(F)C(OC(=O)C(F)(F)F)=O.CS(C)=O.N1(CC(O)CO[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[N+:34]([O-:36])=[O:35])CCOCC1>>[N+:34]([C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:28]=1)([O-:36])=[O:35] | 1 |
O[CH2:2][N:3]1[CH2:7][CH:6]([CH2:8][CH2:9][CH3:10])[CH2:5][C:4]1=[O:11].S(Cl)(Cl)=O.[CH3:16][C:17]1[CH:18]=[N:19][C:20]2[N:21]([N:23]=[C:24]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[CH:25]=2)[CH:22]=1.[Al+3].[Cl-].[Cl-].[Cl-]>C1(C)C=CC=CC=1>[CH3:16][C:17]1[CH:18]=[N:19][C:20]2[N:21]([N:23]=[C:24]([C:26]3[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=3)[C:25]=2[CH2:2][N:3]2[CH2:7][CH:6]([CH2:8][CH2:9][CH3:10])[CH2:5][C:4]2=[O:11])[CH:22]=1 | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC=1C=CC=2OCCC3=C(C2N1)SC(=C3)C=3N(N=CN3)C3=C(C=C(C=C3)F)F>O1CCOCC1>C(C)(C)(C)OC(=O)N1CCN(CC1)C=1C=CC2=C(C=3SC(=CC3CCO2)C=2N(N=CN2)C2=C(C=C(C=C2)F)F)N1 | 3 |
[N:1]1([C:10]2[S:14][C:13]([C:15]([O:17][CH3:18])=[O:16])=[C:12]([OH:19])[CH:11]=2)[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[CH:2]1.C(N(CC)C(C)C)(C)C.C1(N[S:36]([C:39]([F:42])([F:41])[F:40])(=[O:38])=[O:37])C=CC=CC=1>ClCCl.[Cl-].[Na+].O>[N:1]1([C:10]2[S:14][C:13]([C:15]([O:17][CH3:18])=[O:16])=[C:12]([O:19][S:36]([C:39]([F:42])([F:41])[F:40])(=[O:38])=[O:37])[CH:11]=2)[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[CH:2]1 | 2 |
C(CC)(=O)Cl.NC1=C(C=O)C(=CC=C1)Br>O.ClCCl.c1ccncc1>BrC=1C(=C(C=CC1)NC(CC)=O)C=O | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:25])=[C:6]([CH2:8][C:9]2[N:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]3=[N:11][C:10]=2[CH2:18][NH:19][CH2:20][CH2:21][CH:22]([CH3:24])[CH3:23])[CH:7]=1.C(N(CC)CC)C.[Cl:33][C:34]1[C:42]([O:43][CH3:44])=[C:41]([O:45][CH3:46])[CH:40]=[CH:39][C:35]=1[C:36](Cl)=[O:37]>ClCCl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:25])=[C:6]([CH2:8][C:9]2[N:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]3=[N:11][C:10]=2[CH2:18][N:19]([CH2:20][CH2:21][CH:22]([CH3:23])[CH3:24])[C:36]([C:35]2[CH:39]=[CH:40][C:41]([O:45][CH3:46])=[C:42]([O:43][CH3:44])[C:34]=2[Cl:33])=[O:37])[CH:7]=1 | 1 |
[N-]=[N+]=C.OC1=CC=C(C(=O)N2C(CCC2)=O)C=C1>C1CCCO1>COC1=CC=C(C(=O)N2C(CCC2)=O)C=C1 | 3 |
[SH:1][CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].C(N(CC)CC)C.Cl[C:16]1[CH:21]=[CH:20][N:19]=[CH:18][C:17]=1[C:22](=O)[CH3:23]>C(#N)C>[CH3:23][C:22]1[C:17]2[CH:18]=[N:19][CH:20]=[CH:21][C:16]=2[S:1][C:2]=1[C:3]([O:5][CH2:6][CH3:7])=[O:4] | 1 |
C[O:2][C:3]1[CH:12]=[C:11]2[C:6]([C@H:7]([CH2:22]C=C)[C@@:8]([C:14]3[CH:19]=[CH:18][C:17]([O:20]C)=[CH:16][CH:15]=3)([CH3:13])[CH2:9][S:10]2)=[CH:5][CH:4]=1.[F:25][C:26]([F:52])([C:42]([F:51])([F:50])[C:43]([F:49])([F:48])[C:44]([F:47])([F:46])[F:45])[CH2:27][CH2:28][CH:29]([CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH:40]=[CH2:41])[C:30]([O:32]CC)=[O:31]>>[OH:2][C:3]1[CH:12]=[C:11]2[C:6]([C@H:7]([CH2:22][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH:29]([CH2:28][CH2:27][C:26]([F:52])([F:25])[C:42]([F:51])([F:50])[C:43]([F:49])([F:48])[C:44]([F:46])([F:47])[F:45])[C:30]([OH:32])=[O:31])[C@@:8]([C:14]3[CH:15]=[CH:16][C:17]([OH:20])=[CH:18][CH:19]=3)([CH3:13])[CH2:9][S:10]2)=[CH:5][CH:4]=1 | 1 |
C(C)OC(=O)C=1NC(=NC1C)I>>C(C)OC(=O)C=1NC(=NC1C)C#N | 5 |
[Br-].C1(=CC=CC=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)[PH3+].C1(CC1)C(=O)C1=CC(=C(NC(OC(C)(C)C)=O)C=C1)C>>C1(CC1)C(=C)C1=CC(=C(NC(OC(C)(C)C)=O)C=C1)C | 5 |
COC1=CC=C(COC2=C(C(=O)OC)C=CC(=C2)C(=O)OC)C=C1>O.C1CCCO1.CO[H].[OH-].[Na+]>COC1=CC=C(COC2=C(C(=O)O)C=CC(=C2)C(=O)O)C=C1 | 3 |
FC(COC1=C(C=CC=C1)C1=NC(=CC2=C1CNC2=O)CO)F>CC#N.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>FC(COC1=C(C=CC=C1)C1=NC(=CC2=C1CNC2=O)C=O)F | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][C@H:12]1[CH2:16][CH2:15][CH2:14][N:13]1[CH3:17].[CH3:18][C:19]([OH:23])([CH:21]=[CH2:22])[CH3:20].C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.C(N(CC)CC)C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(#N)C>[OH:23][C:19]([CH3:20])([CH3:18])[CH:21]=[CH:22][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][C@H:12]1[CH2:16][CH2:15][CH2:14][N:13]1[CH3:17] | 1 |
C1(CCCCCC1)CN.O1CC(C2=C1C=CC=C2)C2=NC1=C(N2)C=CC(=C1)C(=O)O>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>C1(CCCCCC1)CNC(=O)C1=CC2=C(NC(=N2)C2COC3=C2C=CC=C3)C=C1 | 3 |
C(CC(=O)O)(=O)O.O1CCOC2=C1C=CC(=C2)C=O>>NC(CC(=O)O)C1=CC2=C(OCCO2)C=C1 | 5 |
[OH:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=2)[N:4]([C:15]2[CH:20]=[CH:19][C:18]([S:21]([NH2:24])(=[O:23])=[O:22])=[CH:17][CH:16]=2)[N:3]=1.[H-].[Na+].I[CH3:28].O>CN(C=O)C>[CH3:28][O:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=2)[N:4]([C:15]2[CH:20]=[CH:19][C:18]([S:21]([NH2:24])(=[O:23])=[O:22])=[CH:17][CH:16]=2)[N:3]=1 | 1 |
ClC1=NC=C(C=C1Cl)Cl.Cl.ClC1=C(C=CC=C1)N1C([C@]2(CC1)CNCCC2)=O>N(C)(C)C=O.CCN(CC)CC>ClC1=C(C=CC=C1)N1C([C@]2(CC1)CN(CCC2)C2=NC=C(C=C2Cl)Cl)=O | 3 |
C(C1=CN=CC=C1)(=O)Cl.NC1=C(C(=O)N)C=C(C=C1)OCCC>C1CCCO1.CCN(CC)CC.Cl>C(N)(=O)C1=C(C=CC(=C1)OCCC)NC(C1=CN=CC=C1)=O | 3 |
CC1(OC(=O)CC(=O)O1)C.COC(C1=C(C=C(C=C1)C=O)O)=O.C1(=CC=CC=C1)C(CC1=CSC=C1)=O>>OC1=C(C(=O)O)C=CC(=C1)C1CC(NC(=C1C1=CSC=C1)C1=CC=CC=C1)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([CH:12]([CH3:17])[C:13]([O:15][CH3:16])=[O:14])[CH:6]=[CH:5]2.[CH3:18][O:19][C:20](=O)C.COCCl>CN(C)C=O>[CH3:18][O:19][CH2:20][O:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([CH:12]([CH3:17])[C:13]([O:15][CH3:16])=[O:14])[CH:6]=[CH:5]2 | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]([O:10][CH2:11][CH:12]([CH3:14])[CH3:13])=[C:6]([CH:9]=1)[C:7]#[N:8].C([O:18][B:19](OC(C)C)[O:20]C(C)C)(C)C.CCCCCC.C([Li])CCC.Cl>C1COCC1.C1(C)C=CC=CC=1>[C:7]([C:6]1[CH:9]=[C:2]([B:19]([OH:20])[OH:18])[CH:3]=[CH:4][C:5]=1[O:10][CH2:11][CH:12]([CH3:14])[CH3:13])#[N:8] | 2 |
[OH-].[Na+].[F:3][C:4]1[CH:5]=[C:6]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([N:22]([CH3:33])[C:23]([NH:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:24])[CH:17]=2)[CH:7]=[CH:8][C:9]=1[CH2:10][CH2:11][C:12]([O:14]C)=[O:13].O1CCCC1.CO.O>C(O)(=O)C>[F:3][C:4]1[CH:5]=[C:6]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([N:22]([CH3:33])[C:23]([NH:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[O:24])[CH:17]=2)[CH:7]=[CH:8][C:9]=1[CH2:10][CH2:11][C:12]([OH:14])=[O:13] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.OC=1C=CC2=C(OCC2=O)C1>N(C)(C)C=O.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC=1C=CC2=C(OCC2=O)C1 | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)C(=CC(=O)OC)COC>>OC=1C=C(C=CC1)C(CC(=O)OC)COC | 5 |
C(=O)([O-])[O-].[Cs+].[Cs+].C1C=CC(P(C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[F:53][C:54]1[CH:61]=[CH:60][C:57]([CH2:58][OH:59])=[CH:56][CH:55]=1.[CH2:62]([C:69]1[C:73]2[C:74]([Cl:78])=[N:75][CH:76]=[CH:77][C:72]=2[NH:71][C:70]=1[CH3:79])[C:63]1[CH:68]=[CH:67][CH:66]=[CH:65][CH:64]=1>C1(C)C=CC=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.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[ClH:78].[CH2:62]([C:69]1[C:73]2[C:74]([O:59][CH2:58][C:57]3[CH:60]=[CH:61][C:54]([F:53])=[CH:55][CH:56]=3)=[N:75][CH:76]=[CH:77][C:72]=2[NH:71][C:70]=1[CH3:79])[C:63]1[CH:64]=[CH:65][CH:66]=[CH:67][CH:68]=1 | 1 |
Br[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][C:6]([F:13])=[CH:7][C:8]=2[F:12])[C:3]=1[CH:14]=[O:15].[CH3:16][Sn](C)(C)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.C1(C)C=CC=CC=1>[F:12][C:8]1[CH:7]=[C:6]([F:13])[CH:5]=[C:4]2[C:9]=1[CH:10]=[CH:11][C:2]([CH3:16])=[C:3]2[CH:14]=[O:15] | 2 |
ClC1=NC(=CC=C1)NN.CN(/C=C/C(=O)C1=NN(C=CC1=O)C1=CC=NC=C1)C>CCO[H].C(C)(=O)O>ClC1=CC=CC(=N1)N1N=CC=C1C1=NN(C=CC1=O)C1=CC=NC=C1 | 3 |
CI.FC1=CC=C(C=C1)N1C(=NC(=C1)C#CC1=CC(=NC=C1)C)C>>FC1=CC=C(C=C1)N1C(=NC(=C1C)C#CC1=CC(=NC=C1)C)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([OH:11])=O)=[CH:4][CH:3]=1.[NH2:12][CH:13]([CH2:21][CH3:22])[C:14]([O:16][CH2:17][CH:18]([CH3:20])[CH3:19])=[O:15]>>[CH2:17]([O:16][C:14](=[O:15])[CH:13]([NH:12][C:9](=[O:11])[CH2:8][C:5]1[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=1)[CH2:21][CH3:22])[CH:18]([CH3:19])[CH3:20] | 1 |
BrC(C(=O)OCC)(F)F.IC1=NC=C(C=C1)OC(C)C>CS(=O)C.[Cl-].[NH4+].[Cu]>FC(C(=O)OCC)(C1=NC=C(C=C1)OC(C)C)F | 3 |
BrC1=NNC=2C1=NC=CC2>>BrC=1N(N=C2C1N=CC=C2)CC | 5 |
C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H]([C@@H]2[C@@H](OC(C2)=O)C1)C=O.FC(C(CP(OC)(OC)=O)=O)(CCCC)F>COC(C)(C)C.O[Li].O>FC(C(/C=C/[C@H]1[C@@H](C[C@@H]2OC(C[C@@H]21)=O)OC(=O)C2=CC=CC=C2)=O)(CCCC)F | 3 |
[C:1](Cl)(=O)[C:2]([Cl:4])=[O:3].[CH3:7][C@@:8]12[C:14]([CH3:16])([CH3:15])[C@@H:11]([CH2:12][CH2:13]1)C(C(O)=O)[C:9]2=[O:20]>CN(C)C=O.ClCCl>[CH3:7][C@@:8]12[C:14]([CH3:16])([CH3:15])[C@@H:11]([CH2:12][CH2:13]1)[CH:1]([C:2]([Cl:4])=[O:3])[C:9]2=[O:20] | 1 |
[Si](C)(C)(C(C)(C)C)OCCCN1C(C(CC2=CC=CC=C12)NC(=O)C1=CC2=C(N1)SC(=C2)Cl)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=CC2=C(NC(=C2)C(=O)NC2C(N(C3=CC=CC=C3C2)CCCO)=O)S1 | 3 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC1=CN=C2C(=N1)N(N=N2)CC=2C=CC1=C(CCO1)C2>>O1CCC2=C1C=CC(=C2)CN2N=NC=1C2=NC(=CN1)C=1C=NN(C1)C | 5 |
C(C=C)I.ClC=1C=CC(=NC1)[C@H](CO)NC(C(F)(F)F)=O>N(C)(C)C=O.[H-].[Na+]>ClC=1C=CC(=NC1)[C@H](COCC=C)NC(C(F)(F)F)=O | 3 |
COC1=CC=C(CNC2=C(C(=NC=3N2N=CC3)NC3CN(CCC3)C(=O)OC(C)(C)C)C)C=C1>CO[H].[HH].[Pd]>NC1=C(C(=NC=2N1N=CC2)NC2CN(CCC2)C(=O)OC(C)(C)C)C | 3 |
BrC1=C(C(=C(C=C1)F)OC)[N+](=O)[O-]>C(C)(=O)OCC.[Zn].C(C)(=O)O>BrC1=CC=C(C(=C1N)OC)F | 3 |
CI.OCC(C)(C)C1=NOC(=C1)NC(C(C)(S(=O)(=O)CC1CCOCC1)C)=O>C1CCCO1.[H-].[Na+]>COCC(C)(C)C1=NOC(=C1)NC(C(C)(S(=O)(=O)CC1CCOCC1)C)=O | 3 |
N1(CCCC1)C(=O)Cl.Cl.CC1NCCC(C1)C(=O)NCCNC(=O)C=1C(=NN(C1)C1=CC=CC=C1)C(F)(F)F>>CC1N(CCC(C1)C(=O)NCCNC(=O)C=1C(=NN(C1)C1=CC=CC=C1)C(F)(F)F)C(=O)N1CCCC1 | 5 |
Br[C:2]([CH3:9])([CH3:8])[C:3]([O:5][CH2:6][CH3:7])=[O:4].[CH:10]1([NH2:17])[CH2:15][CH2:14][CH:13]([NH2:16])[CH2:12][CH2:11]1.C(=O)(O)[O-].[Na+]>COCCOC.C(Cl)Cl.[Cl-].[Na+].O>[NH2:16][C@H:13]1[CH2:14][CH2:15][C@H:10]([NH:17][C:2]([CH3:9])([CH3:8])[C:3]([O:5][CH2:6][CH3:7])=[O:4])[CH2:11][CH2:12]1 | 2 |
Cl.S1CCN(CC1)CCCC(=O)O.OC1=CC(=CC=2OC(C3=C(C21)CC(CC3)C)(C)C)C(C)C(CCCCC)C>ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>S1CCN(CC1)CCCC(=O)OC1=CC(=CC=2OC(C3=C(C21)CC(CC3)C)(C)C)C(C)C(CCCCC)C | 3 |
C(C#C)N1CCCCCC1.NC1=C(C=C(N=N1)C1=C(C=CC=C1)O)N1CC2CCC(C1)N2C2=CN=NC(=C2)Cl>[Cu]I.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].c3c(P(c1ccccc1)c2ccccc2)cccc3.CCN(CC)CC>NC1=C(C=C(N=N1)C1=C(C=CC=C1)O)N1CC2CCC(C1)N2C2=CN=NC(=C2)C#CCN2CCCCCC2 | 3 |
ClC1=CC=C2CCCC(C2=C1)C=1C=C(SC1)CO>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C.C(O)([O-])=O.[Na+]>ClC1=CC=C2CCCC(C2=C1)C=1C=C(SC1)C=O | 3 |
[C:1]([NH:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)=[C:14]([F:24])[CH:13]=1)([O:3][CH2:4][C:5]1C=CC=CC=1)=[O:2].CC(C)([O-])C.[Li+].ClC[C@@H](O)[CH2:34][N:35]([CH2:43][C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1)[CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.[Cl-].[NH4+]>C(OCC)(=O)C.O1CCCC1>[CH2:43]([N:35]([CH2:34][C@@H:4]1[O:3][C:1](=[O:2])[N:11]([C:12]2[CH:17]=[CH:16][C:15]([N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)=[C:14]([F:24])[CH:13]=2)[CH2:5]1)[CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1 | 1 |
CC1(OC(C(C(O1)=O)=CNC=1SC=C(C1)C1=CC=CC=C1)=O)C>C1(=CC=CC=C1)OC1=CC=CC=C1>C(C)(C)OC(C)C.C1(=CC=CC=C1)C1=CSC=2NC=CC(C21)=O | 3 |
[F:1][C:2](=[C:7]([F:9])[F:8])[CH2:3][C:4](Cl)=[O:5].[NH2:10][C:11]1[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=1)[C:14]([OH:16])=[O:15].C(=O)(O)[O-].[Na+].ClCCl>C(OCC)(=O)C.O>[F:1][C:2](=[C:7]([F:9])[F:8])[CH2:3][C:4]([NH:10][C:11]1[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=1)[C:14]([OH:16])=[O:15])=[O:5] | 1 |
CS(=O)(=O)OC1=C(C=CC(=C1)C=O)OCC1CC1>>C1(CC1)COC1=C(C=C(C(=O)O)C=C1)OS(=O)(=O)C | 5 |
CI.FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCOCC1)NC1CN(C1)S(=O)(=O)C)C=CC=C2OC)F>N(C)(C)C=O.[H-].[Na+]>FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCOCC1)N(C1CN(C1)S(=O)(=O)C)C)C=CC=C2OC)F | 3 |
[Br-].CC1=CC=CC(=N1)[Zn+].BrC=1SC=C(C1)Cl>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C=C(SC1)C1=NC(=CC=C1)C | 3 |
ClC1=CC=C(C=C1)[Mg]Br.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@@H]1N(C(COC1)=O)C(=O)OC(C)(C)C>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@@H](COCC(=O)C1=CC=C(C=C1)Cl)NC(OC(C)(C)C)=O | 5 |
C(C)(C)O.C(CO)O.CNCCO.C(C)OC(=O)N1[C@@H](C[C@@H](C2=NC(=CC=C12)OC)NC1=NC=C(C(=N1)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)I)CC>[Cu]I.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)OC(=O)N1[C@@H](C[C@@H](C2=NC(=CC=C12)OC)NC1=NC(=C(C(=N1)N)CC(O)C)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)CC | 3 |
C(#N)CC(=O)O.COCOC1=CC=C(CCN)C=C1>>C(#N)CC(=O)NCCC1=CC=C(C=C1)OCOC | 5 |
[OH-].[Na+].[F:3][CH:4]([F:19])[CH2:5][O:6][C:7]1[CH:8]=[C:9]([F:18])[C:10]([C:13]([O:15]CC)=[O:14])=[N:11][CH:12]=1.Cl.O1CCOCC1>C1COCC1>[F:19][CH:4]([F:3])[CH2:5][O:6][C:7]1[CH:8]=[C:9]([F:18])[C:10]([C:13]([OH:15])=[O:14])=[N:11][CH:12]=1 | 1 |
Cl.CN.C(#N)C=1C=NN2C1NC(=C(C2=O)C(C)C)C=2C=NN(C2)C(C(=O)O)(C)C>>C(#N)C=1C=NN2C1NC(=C(C2=O)C(C)C)C=2C=NN(C2)C(C(=O)NC)(C)C | 5 |
[CH2:1]([N:8]1[CH2:12][CH:11]([CH2:13]O)[CH2:10][C:9]1=[O:15])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N1C=CN=C1.[I:40]I>C1(C)C=CC=CC=1>[CH2:1]([N:8]1[CH2:12][CH:11]([CH2:13][I:40])[CH2:10][C:9]1=[O:15])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C1C(NCC=2C=CC=C3C=CN1C23)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)C1CN2C=CC3=C(C=CC(=C23)CN1)C=O | 5 |
C([Li])CCC.CCCCCC.Br[C:13]1[CH:18]=[CH:17][C:16]([CH2:19][O:20][Si:21]([C:24]([CH3:27])([CH3:26])[CH3:25])([CH3:23])[CH3:22])=[C:15]([Cl:28])[CH:14]=1.[CH:29](N1CCCCC1)=[O:30].[Cl-].[NH4+]>O1CCCC1>[Si:21]([O:20][CH2:19][C:16]1[CH:17]=[CH:18][C:13]([CH:29]=[O:30])=[CH:14][C:15]=1[Cl:28])([C:24]([CH3:27])([CH3:26])[CH3:25])([CH3:23])[CH3:22] | 1 |
C(C)(=O)OC(C)=O.FC=1C=C(C=CC1OC)CC=1C(NNC1C)=O>>C(C)(=O)N1N=C(C(=C1C)CC1=CC(=C(C=C1)OC)F)O | 5 |
[C:1]([CH2:4][C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[C:11]([F:14])[CH:12]=2)[N:7]([CH2:15][C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([F:26])[CH:24]=3)[CH:19]=[CH:18][CH:17]=2)[C:6]=1[C:27]([OH:29])=[O:28])(O)=[O:2].FC1C=C2[C:37](=CC=1)[N:36](CC1C3C(=CC=C(F)C=3)C=CC=1)[C:35]1C(=O)OC(=O)CC2=1.CNC>>[CH3:35][N:36]([CH3:37])[C:1]([CH2:4][C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[C:11]([F:14])[CH:12]=2)[N:7]([CH2:15][C:16]2[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([F:26])[CH:24]=3)[CH:19]=[CH:18][CH:17]=2)[C:6]=1[C:27]([OH:29])=[O:28])=[O:2] | 1 |
[CH3:1][CH:2]1[N:6]([CH2:7][CH2:8][CH2:9][CH2:10]Br)[C:5](=[O:12])[CH2:4][S:3]1.Cl.[Cl:14][C:15]1[CH:16]=[C:17]([N:21]2[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]2)[CH:18]=[CH:19][CH:20]=1.C([O-])([O-])=O.[K+].[K+].[Na+].[I-]>CC#N>[ClH:14].[Cl:14][C:15]1[CH:16]=[C:17]([N:21]2[CH2:26][CH2:25][N:24]([CH2:10][CH2:9][CH2:8][CH2:7][N:6]3[C:5](=[O:12])[CH2:4][S:3][CH:2]3[CH3:1])[CH2:23][CH2:22]2)[CH:18]=[CH:19][CH:20]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[F:11])[N:7](S(C1C=CC(C)=CC=1)(=O)=O)[CH:6]=[C:5]2[C@@H:22]1[CH2:24][C@H:23]1[CH:25]=O.[CH3:27][NH:28][CH3:29].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>O1CCCC1>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[F:11])[NH:7][CH:6]=[C:5]2[CH:22]1[CH2:24][CH:23]1[CH2:25][N:28]([CH3:29])[CH3:27] | 1 |
O1CC(CC1)O.FC1=CC=C2C=NC(=NC2=C1)N[C@@H]1CC[C@H](CC1)O>>O1CC(CC1)OC1=CC=C2C=NC(=NC2=C1)NC1(CCCCC1)O | 5 |
NC=1C=C(C=CC1)O>O.Cl.N(=O)[O-].[Na+].[Sn](Cl)Cl>N(N)C=1C=C(C=CC1)O | 3 |
C[N+]1([O-])CC[O:5]CC1.[CH3:9][C:10]([CH3:57])([CH:55]=[CH2:56])[CH2:11][C:12]1[N:13]=[C:14]([CH2:36][C:37]([C:42]2[CH:47]=[CH:46][C:45]([C:48]3[CH:53]=[CH:52][C:51]([F:54])=[CH:50][N:49]=3)=[CH:44][CH:43]=2)([OH:41])[CH:38]([F:40])[F:39])[N:15]([C:17]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:16]=1.CC(C)=O.[OH2:62]>[Os](=O)(=O)(=O)=O>[F:39][CH:38]([F:40])[C:37]([C:42]1[CH:43]=[CH:44][C:45]([C:48]2[CH:53]=[CH:52][C:51]([F:54])=[CH:50][N:49]=2)=[CH:46][CH:47]=1)([OH:41])[CH2:36][C:14]1[N:15]([C:17]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH:16]=[C:12]([CH2:11][C:10]([CH3:57])([CH3:9])[CH:55]([OH:5])[CH2:56][OH:62])[N:13]=1 | 1 |
[OH:1][CH:2]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH2:3][N:4]1[C:8]2[NH:9][C:10](=[S:14])[NH:11][C:12](=[O:13])[C:7]=2[CH:6]=[N:5]1.[CH3:21]I>C1COCC1>[OH:1][CH:2]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH2:3][N:4]1[C:8]2[N:9]=[C:10]([S:14][CH3:21])[NH:11][C:12](=[O:13])[C:7]=2[CH:6]=[N:5]1 | 1 |
COC1=CC=C(CN2C(CC3=C2N=C(N=C3NNC(C)=O)C=3OC(=CC3)C)=O)C=C1>CC#N.P(=O)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>COC1=CC=C(CN2C(CC=3C=4N(C(=NC32)C=3OC(=CC3)C)C(=NN4)C)=O)C=C1 | 3 |
NC1=NC=C(C=C1Br)Cl.O1CC(C1)=O>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+].CCCCCC.CCCC(C)C.CCC(C)CC>NC1=NC=C(C=C1C1(COC1)O)Cl | 3 |
[CH2:1]1[C@H:13]2[C@H:4]([N:5]([CH2:14][CH2:15][NH2:16])[C:6]3[CH:7]=[CH:8][CH:9]=[CH:10][C:11]=3[CH2:12]2)[CH2:3][CH2:2]1.C=O.C(O)(C(F)(F)F)=O>CCO>[CH2:1]1[C@@H:13]2[C@H:4]([N:5]([CH2:14][CH2:15][NH2:16])[C:6]3[CH:7]=[CH:8][CH:9]=[CH:10][C:11]=3[CH2:12]2)[CH2:3][CH2:2]1 | 2 |
[CH3:1][N:2]1[C:6]([C:7]2[CH:8]=[C:9]([CH:11]=[C:12]([O:14][CH3:15])[CH:13]=2)[NH2:10])=[CH:5][N:4]=[C:3]1[CH3:16].[C:17]1([C:30](O)=[O:31])[C:29]2[CH2:28][C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[C:21]=2[CH:20]=[CH:19][CH:18]=1.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.Cl>CN(C)C1C=CN=CC=1.ClCCl>[CH3:1][N:2]1[C:6]([C:7]2[CH:8]=[C:9]([NH:10][C:30]([C:17]3[C:29]4[CH2:28][C:27]5[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=5)[C:21]=4[CH:20]=[CH:19][CH:18]=3)=[O:31])[CH:11]=[C:12]([O:14][CH3:15])[CH:13]=2)=[CH:5][N:4]=[C:3]1[CH3:16] | 2 |
[NH2:1][C:2]1([CH2:18][CH2:19][OH:20])[C:15]2[CH:14]=[C:13]([Cl:16])[N:12]=[CH:11][C:10]=2[O:9][C:8]2[C:3]1=[CH:4][C:5]([Br:17])=[CH:6][CH:7]=2.[N+:21]([C:24]1[CH:34]=[CH:33][C:27]([C:28]([N:30]=[C:31]=[S:32])=[O:29])=[CH:26][CH:25]=1)([O-:23])=[O:22]>C1COCC1>[Br:17][C:5]1[CH:4]=[C:3]2[C:8](=[CH:7][CH:6]=1)[O:9][C:10]1[CH:11]=[N:12][C:13]([Cl:16])=[CH:14][C:15]=1[C:2]2([NH:1][C:31]([NH:30][C:28](=[O:29])[C:27]1[CH:26]=[CH:25][C:24]([N+:21]([O-:23])=[O:22])=[CH:34][CH:33]=1)=[S:32])[CH2:18][CH2:19][OH:20] | 1 |
ClC1=CC(=C(C(=C1C)C=1C=NN(C1)C(C)OCC)C1=CC(=CC(=C1)F)F)C(C)=O>>ClC1=CC(=C(C(=C1C)C=1C=NN(C1)C(C)OCC)C1=CC(=CC(=C1)F)F)C(C)N | 5 |
FC1=CC=C(C=O)C=C1.Cl.COC([C@@H](N)CC(C)C)=O>>COC([C@H](CC(C)C)/N=C/C1=CC=C(C=C1)F)=O | 5 |
CC1(C2CCC1(C(C2)O)C)C>ClC=1C=C(C(=O)OO)C=CC1.[O].ON1C(C=2C(C1=O)=CC=CC2)=O.C(C)(=O)[O-].[Co+2].C(C)(=O)[O-]>C12(C(=O)CC(CC1)C2(C)C)C | 3 |
[C:1]([N:4]1[CH:9]2[CH2:10][CH2:11][CH:5]1[CH2:6][CH:7]([C:12]1[N:16]=[C:15]([NH:17][C:18]3[N:23]=[CH:22][C:21]([S:24][CH2:25][C:26](OC)=[O:27])=[CH:20][C:19]=3[O:30][C:31]3[C:32]([CH3:37])=[N:33][CH:34]=[CH:35][CH:36]=3)[S:14][N:13]=1)[CH2:8]2)(=[O:3])[CH3:2].[Li+].[BH4-].[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[OH:27][CH2:26][CH2:25][S:24][C:21]1[CH:20]=[C:19]([O:30][C:31]2[C:32]([CH3:37])=[N:33][CH:34]=[CH:35][CH:36]=2)[C:18]([NH:17][C:15]2[S:14][N:13]=[C:12]([CH:7]3[CH2:6][CH:5]4[N:4]([C:1](=[O:3])[CH3:2])[CH:9]([CH2:10][CH2:11]4)[CH2:8]3)[N:16]=2)=[N:23][CH:22]=1 | 1 |
[OH:1][CH2:2][C:3]([CH3:26])=[CH:4][CH2:5][C:6]1[C:14]([O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19])=[C:13]2[C:9]([CH2:10][O:11][C:12]2=[O:22])=[C:8]([CH3:23])[C:7]=1[O:24][CH3:25].CCN(C(C)C)C(C)C.Cl[P:37]1[O:42]C(=O)C2C=CC=CC=2[O:38]1>O1CCOCC1>[CH3:25][O:24][C:7]1[C:8]([CH3:23])=[C:9]2[C:13]([C:12](=[O:22])[O:11][CH2:10]2)=[C:14]([O:15][CH2:16][CH2:17][Si:18]([CH3:20])([CH3:19])[CH3:21])[C:6]=1[CH2:5][CH:4]=[C:3]([CH3:26])[CH2:2][O:1][P:37]([OH:42])[OH:38] | 1 |
[CH:1]1([C:4]([NH:6][C:7]2[S:8][C:9]3[CH:15]=[C:14]([O:16][S:17]([C:20]4[CH:25]=[CH:24][C:23](F)=[CH:22][CH:21]=4)(=[O:19])=[O:18])[CH:13]=[CH:12][C:10]=3[N:11]=2)=[O:5])[CH2:3][CH2:2]1.[CH:27]1([NH2:32])[CH2:31][CH2:30][CH2:29][CH2:28]1>CN1C(=O)CCC1>[CH:1]1([C:4]([NH:6][C:7]2[S:8][C:9]3[CH:15]=[C:14]([O:16][S:17]([C:20]4[CH:25]=[CH:24][C:23]([NH:32][CH:27]5[CH2:31][CH2:30][CH2:29][CH2:28]5)=[CH:22][CH:21]=4)(=[O:19])=[O:18])[CH:13]=[CH:12][C:10]=3[N:11]=2)=[O:5])[CH2:3][CH2:2]1 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1.[Br:16][C:17]1[CH:22]=[C:21]([CH3:23])[CH:20]=[CH:19][C:18]=1[OH:24].O>ClC1C=CC=CC=1Cl>[Br:16][C:17]1[CH:22]=[C:21]([CH3:23])[CH:20]=[CH:19][C:18]=1[O:24][C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1 | 1 |
COCCC1=CC=C(C=C1)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Cl)(Cl)(Cl)Cl>ClCC1=CC=C(C=C1)CCOC | 3 |
C(C1=CC=CC=C1)OC([C@@H](C)N1OCC=CC1=O)=O>O.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].C(C)(C)(C)O.CS(=O)(=O)N.CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC.[K+].[K+].[O-][Os](O)(O)(O)(O)[O-].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].C(=O)([O-])[O-].[K+].[K+]>C(C1=CC=CC=C1)OC(=O)[C@@H](C)N1OC[C@@H]([C@@H](C1=O)O)O | 3 |
Br[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[C:7]([CH3:30])[C:8]([CH:19]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])[C:20]([O:22]CC)=[O:21])=[C:9]2[C:12]2[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][CH:13]=2)=[CH:4][CH:3]=1.[C:31]([C:33]1([OH:39])[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1)#[CH:32]>CC#N.O>[C:26]([O:25][CH:19]([C:8]1[C:7]([CH3:30])=[CH:6][C:5]2[C:10](=[CH:11][C:2]([C:32]#[C:31][C:33]3([OH:39])[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]3)=[CH:3][CH:4]=2)[C:9]=1[C:12]1[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][CH:13]=1)[C:20]([OH:22])=[O:21])([CH3:28])([CH3:27])[CH3:29] | 1 |
OC1CCCC=2SC=CC21.ClC1CCCC=2SC=CC21>N(C)(C)C=O.ClS(Cl)=O.C(C)(C)N(C(C)C)CC.NC(=O)N>S1C2=C(C=C1)C(CCC2)NC(=O)N | 3 |
C(C1=CC=NC=C1)(=O)O.ClC1=CC=C(C=C1)C=1N=C2N(C=C(C=C2)C2=CC=CC=C2)C1CN1CCNCC1>>ClC1=CC=C(C=C1)C=1N=C2N(C=C(C=C2)C2=CC=CC=C2)C1CN1CCN(CC1)C(=O)C1=CC=NC=C1 | 5 |
Cl.C([O:6][CH2:7][CH:8]([CH3:38])[CH2:9][O:10][NH:11][C:12]([C:14]1[C:15]([NH:29][C:30]2[CH:35]=[CH:34][C:33]([Br:36])=[CH:32][C:31]=2[F:37])=[CH:16][C:17](=[O:28])[N:18]2[C:22]=1[CH:21]1[O:23]C(C)(C)[O:25][CH:20]1[CH2:19]2)=[O:13])(C)(C)C>CO>[OH:6][CH2:7][CH:8]([CH3:38])[CH2:9][O:10][NH:11][C:12]([C:14]1[C:15]([NH:29][C:30]2[CH:35]=[CH:34][C:33]([Br:36])=[CH:32][C:31]=2[F:37])=[CH:16][C:17](=[O:28])[N:18]2[C:22]=1[CH:21]([OH:23])[CH:20]([OH:25])[CH2:19]2)=[O:13] | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH2:10])=[C:6]([NH2:11])[CH:5]=1)([O-:3])=[O:2].[C:12]([NH:14][C:15]([NH2:17])=[NH:16])#N.Cl.[OH-].[Na+]>>[NH:14]([C:12]1[NH:11][C:6]2[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:9]=[CH:8][C:7]=2[N:10]=1)[C:15]([NH2:17])=[NH:16] | 1 |
C(C)(=O)OCC(CC1=C(N(C2=CC=C(C=C12)N1C[C@@H](OCC1)C[C@@H](C(=O)N1N[C@@H](CCC1)C(=O)OC)NC(=O)OC(C)(C)C)CC)C=1C(=NC=C(C1)N1C[C@H]2COCCN2CC1)[C@H](C)OC)(C)C>O.C1CCCO1.O[Li].O>C(C)(C)(C)OC(=O)N[C@H](C(=O)N1N[C@@H](CCC1)C(=O)O)C[C@H]1CN(CCO1)C=1C=C2C(=C(N(C2=CC1)CC)C=1C(=NC=C(C1)N1C[C@H]2COCCN2CC1)[C@H](C)OC)CC(CO)(C)C | 3 |
[F:1][C:2]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:3]=1[NH2:4].C(N(CC)CC)C.Cl[S:18]([C:21]1[CH2:26][O:25][CH2:24][CH2:23][C:22]=1[C:27]([O:29][CH2:30][CH3:31])=[O:28])(=[O:20])=[O:19]>C(OCC)(=O)C>[F:1][C:2]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:3]=1[NH:4][S:18]([CH:21]1[C:22]([C:27]([O:29][CH2:30][CH3:31])=[O:28])=[CH:23][CH2:24][O:25][CH2:26]1)(=[O:19])=[O:20] | 2 |
Cl.FC=1C=CC(=NC1)[C@H](C)N.ClC1=NC(=CC(=N1)NC=1SC(=CN1)C)Cl>>ClC1=CC(=NC(=N1)N[C@@H](C)C1=NC=C(C=C1)F)NC=1SC(=CN1)C | 5 |
COC(=O)C1N(C(CC1)C1=CC=C(C=C1)F)S(=O)(=O)C1=CC=C(C=C1)C>>FC1=CC=C(C=C1)C1CCC(N1S(=O)(=O)C1=CC=C(C=C1)C)C(=O)O | 5 |
C[O:2][C:3](=[O:32])[CH2:4][CH2:5][N:6]([S:16]([C:19]1[CH:24]=[CH:23][C:22]([C:25]2[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=2)=[CH:21][CH:20]=1)(=[O:18])=[O:17])[C:7]1([C:12](=[O:15])[NH:13][OH:14])[CH2:11][CH2:10][CH2:9][CH2:8]1.[OH-].[Na+]>CO>[F:31][C:28]1[CH:29]=[CH:30][C:25]([C:22]2[CH:21]=[CH:20][C:19]([S:16]([N:6]([C:7]3([C:12](=[O:15])[NH:13][OH:14])[CH2:11][CH2:10][CH2:9][CH2:8]3)[CH2:5][CH2:4][C:3]([OH:32])=[O:2])(=[O:17])=[O:18])=[CH:24][CH:23]=2)=[CH:26][CH:27]=1 | 1 |
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