smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[C:7]([C:12]3(O)[CH2:15][O:14][CH2:13]3)[N:8]2[CH3:11])=[C:4]([N:17]2[CH2:22][CH2:21][O:20][CH2:19][C@@H:18]2[CH3:23])[N:3]=1.C(N(S(F)(F)[F:30])CC)C>C(Cl)Cl>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[C:7]([C:12]3([F:30])[CH2:15][O:14][CH2:13]3)[N:8]2[CH3:11])=[C:4]([N:17]2[CH2:22][CH2:21][O:20][CH2:19][C@@H:18]2[CH3:23])[N:3]=1 | 1 |
[CH3:1][N:2]([C:20]1[C:21]2[CH:28]=[CH:27][NH:26][C:22]=2[N:23]=[CH:24][N:25]=1)[C@H:3]1[CH2:8][CH2:7][C@H:6]([CH2:9][S:10]([N:13]2[CH2:18][CH2:17][CH2:16][C@@H:15]([OH:19])[CH2:14]2)(=[O:12])=[O:11])[CH2:5][CH2:4]1.C(N(C(C)C)CC)(C)C.[P:38](OCl)([O:43][CH2:44][CH3:45])([O:40][CH2:41][CH3:42])=[O:39].CO>ClCCl>[P:38]([O:19][C@@H:15]1[CH2:16][CH2:17][CH2:18][N:13]([S:10]([CH2:9][C@H:6]2[CH2:5][CH2:4][C@H:3]([N:2]([CH3:1])[C:20]3[C:21]4[CH:28]=[CH:27][NH:26][C:22]=4[N:23]=[CH:24][N:25]=3)[CH2:8][CH2:7]2)(=[O:12])=[O:11])[CH2:14]1)([O:43][CH2:44][CH3:45])([O:40][CH2:41][CH3:42])=[O:39] | 1 |
[O:1]=[S:2]1(=[O:18])[CH2:6][CH2:5][CH2:4][N:3]1[C:7]1[CH:16]=[CH:15][C:10]([C:11]([O:13]C)=O)=[C:9]([CH3:17])[N:8]=1.[CH3:19][C:20]1[C:21]([N:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)=[N:22][C:23]([CH3:27])=[C:24]([CH3:26])[CH:25]=1>>[O:18]=[S:2]1(=[O:1])[CH2:6][CH2:5][CH2:4][N:3]1[C:7]1[N:8]=[C:9]([CH3:17])[C:10]([C:11]([N:31]2[CH2:32][CH2:33][N:28]([C:21]3[C:20]([CH3:19])=[CH:25][C:24]([CH3:26])=[C:23]([CH3:27])[N:22]=3)[CH2:29][CH2:30]2)=[O:13])=[CH:15][CH:16]=1 | 1 |
C1CCC12OCC(CO2)OC2=C(C(=NC=C2)CSC2=NC1=C(N2)C=CC=C1)C>C1(=CC=CC=C1)C.CO[H].ClC=1C=C(C(=O)OO)C=CC1.C1(=CC=CC=C1)C.CO>C1CCC12OCC(CO2)OC2=C(C(=NC=C2)CS(=O)C2=NC1=C(N2)C=CC=C1)C | 3 |
CC(C(=O)O)C.CC(CO)CC>>C(C(C)C)(=O)OCC(CC)C | 5 |
C(C)(C)(C)[S@@](=O)N[C@@H](CC(=O)OCC)C=1C(=C(C=C(C1F)C(F)(F)F)B(O)O)F.C1(CC1)C1=C(C(=C(C=C1)C)I)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>C(C)(C)(C)[S@@](=O)N[C@@H](CC(=O)OCC)C=1C(=C(C=C(C1F)C(F)(F)F)C1=C(C(=CC=C1C)C1CC1)C)F | 3 |
CS(=O)(=O)Cl.NC=1C=C(C(=O)OC)C=CC1>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1>CS(=O)(=O)NC=1C=C(C(=O)OC)C=CC1 | 3 |
FC1=CC=C(C#N)C=C1.FC1=C(C=CC=C1)C(C)(C)O>N(C)(C)C=O.O.[H-].[Na+].[Cl-].[NH4+]>FC1=C(C=CC=C1)C(C)(OC1=CC=C(C#N)C=C1)C | 3 |
[F:1][C:2]([F:37])([F:36])[C:3]1[CH:4]=[C:5]([CH:29]=[C:30]([C:32]([F:35])([F:34])[F:33])[CH:31]=1)[CH2:6][N:7]([CH2:15][C:16]1[CH:24]=[C:23]([C:25]([F:28])([F:27])[F:26])[CH:22]=[CH:21][C:17]=1C(O)=O)[C:8]1[N:13]=[CH:12][C:11]([Br:14])=[CH:10][N:9]=1.O(P([N:54]=[N+]=[N-])(OC1C=CC=CC=1)=O)C1C=CC=CC=1.[CH2:57]([OH:64])[C:58]1[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=1.Cl.[O:66]1[CH2:70]CCC1>C(OCC)(=O)C.C(N(CC)CC)C>[F:35][C:32]([F:34])([F:33])[C:30]1[CH:29]=[C:5]([CH:4]=[C:3]([C:2]([F:1])([F:37])[F:36])[CH:31]=1)[CH2:6][N:7]([CH2:15][C:16]1[CH:24]=[C:23]([C:25]([F:27])([F:26])[F:28])[CH:22]=[CH:21][C:17]=1[NH:54][C:70](=[O:66])[O:64][CH2:57][C:58]1[CH:63]=[CH:62][CH:61]=[CH:60][CH:59]=1)[C:8]1[N:9]=[CH:10][C:11]([Br:14])=[CH:12][N:13]=1 | 1 |
C[O:2][C:3](=[O:32])[CH2:4][C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][C:12]=2[Cl:14])[NH:7][C:6]=1[C:15]1[CH:20]=[CH:19][C:18]([Cl:21])=[C:17]([S:22](=[O:31])(=[O:30])[NH:23][CH:24]2[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]2)[CH:16]=1.O.[OH-].[Li+].CCOC(C)=O>CO.O>[Cl:14][C:12]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:13]=1[C:5]([CH2:4][C:3]([OH:32])=[O:2])=[C:6]([C:15]1[CH:20]=[CH:19][C:18]([Cl:21])=[C:17]([S:22](=[O:31])(=[O:30])[NH:23][CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[CH:16]=1)[NH:7]2 | 2 |
[O:1]=[C:2]1[NH:7][N:6]=[C:5]([C:8]([OH:10])=[O:9])[CH:4]=[CH:3]1.C(O[CH2:15][CH2:16][CH2:17][CH3:18])(=O)C.OS(O)(=O)=O>C(O)CCC>[O:1]=[C:2]1[NH:7][N:6]=[C:5]([C:8]([O:10][CH2:15][CH2:16][CH2:17][CH3:18])=[O:9])[CH:4]=[CH:3]1 | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([C:7]2[CH:8]=[C:9]([OH:13])[CH:10]=[CH:11][CH:12]=2)[CH2:3][CH2:2]1.C(=O)([O-])O.[Na+].Br[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25]>CN(C)C=O.O>[CH2:20]([N:1]1[CH2:6][CH2:5][CH:4]([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([OH:13])[CH:8]=2)[CH2:3][CH2:2]1)[CH2:21][CH2:22][CH2:23][CH2:24][CH3:25] | 1 |
[C:1]([O:5][C:6](=[O:20])[CH2:7][C@H:8]([C:12]1[O:13][CH:14]=[C:15]([C:17](O)=[O:18])[N:16]=1)[CH2:9][CH:10]=[CH2:11])([CH3:4])([CH3:3])[CH3:2].O.ON1C2C=CC=CC=2N=N1.Cl.[CH3:33][NH:34][CH3:35].C(N(CC)C(C)C)(C)C.Cl.CN(C)CCCN=C=NCC>ClCCl>[CH3:33][N:34]([CH3:35])[C:17]([C:15]1[N:16]=[C:12]([C@H:8]([CH2:9][CH:10]=[CH2:11])[CH2:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:20])[O:13][CH:14]=1)=[O:18] | 1 |
ClC=1C=C(CBr)C=CC1.OC1=CC=C(C2=CC=CC=C12)C=O>N(C)(C)C=O.[H-].[Na+]>ClC1=C(COC2=CC=C(C3=CC=CC=C23)C=O)C=CC=C1 | 3 |
C(C)(=O)OC(CC)[C@H]1O[C@H]([C@@H](C1)O)N1C(SC2=C1N=C(NC2=O)N)=O>>C(C)(=O)OC(CC)[C@H]1O[C@H](C(C1)=O)N1C(SC2=C1N=C(NC2=O)N)=O | 5 |
C1CCN2C(=NCCC2)CC1.[F:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[CH:20]1[CH:25]([N+:26]([O-:28])=[O:27])[CH2:24][C:23](=[CH2:29])[CH2:22][O:21]1.CC(O)C>C1COCC1>[F:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[C@H:20]1[C@H:25]([N+:26]([O-:28])=[O:27])[CH2:24][C:23](=[CH2:29])[CH2:22][O:21]1 | 2 |
N1C=CC2=CC=CN=C12>O.CO[H].S(=O)(=O)(O[O-])[O-].[K+].[K+].C(O)([O-])=O.[Na+]>N1C=CC=2C1=[N+](C=CC2)[O-] | 3 |
S(=O)(=O)(O)O.CSC(N)=N>O.ClC(=O)OCC>C(=O)(OCC)NC(SC)=NC(=O)OCC | 3 |
C(C1=CC=CC=C1)Br.BrC=1C(=CC(=C(C1)O)CC)C>C1CCCO1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)Br)C)CC | 3 |
C(C#C)O[C@@H]1CN(CC1)C1=C(C(=CC=C1)C(F)(F)F)CN1CCN(CC1)C(=O)OC(C)(C)C>>C(C#C)O[C@@H]1CN(CC1)C1=C(C(=CC=C1)C(F)(F)F)CN1CCNCC1 | 5 |
CC1=CC=C(C=C1)C(=O)C(=O)C1=CC=C(C=C1)C.S(C)(=O)(=O)O.S(C)(=O)(=O)O.NNC(=N)N>>NC=1N=NC(=C(N1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C | 5 |
C(C)OC(=O)C1N(CC=C1C)S(=O)(=O)C1=CC=C(C=C1)C>C1CCCO1.C1CCC2=NCCCN2CC1>C(C)OC(=O)C=1NC=CC1C | 3 |
C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H](CC1)C1=C(C(=CC=C1OC)Cl)Cl)CN[C@H](C(=O)OC)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>ClC1=C(C(=CC=C1Cl)OC)[C@H]1C[C@H](NCC1)CN[C@H](C(=O)OC)C | 3 |
BrC1=C(C=2CCC(C2C2=C1OCC2)=O)Br>>C1C2=C(OC1)C=CC=1CCC(C12)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:22])[N:14]2[CH3:23])[CH2:10][CH:11]=O)[CH:5]=[CH:6][C:7]=1[Cl:8].C[O:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[CH:32]1[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]1>>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:22])[N:14]2[CH3:23])[CH2:10][CH2:11][N:35]2[CH2:36][CH2:37][CH:32]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=3[OH:25])[CH2:33][CH2:34]2)[CH:5]=[CH:6][C:7]=1[Cl:8] | 1 |
[H-].[Na+].C1([O:9][C:10](=[O:34])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([CH:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])=[C:14]([CH2:24][N:25]([C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[CH3:26])[CH:13]=2)C=CC=CC=1.[Br:35][C:36]1[CH:41]=[CH:40][C:39]([CH2:42][CH2:43]O)=[C:38]([CH2:45][CH3:46])[CH:37]=1>C1COCC1>[Br:35][C:36]1[CH:41]=[CH:40][C:39]([CH2:42][CH2:43][O:9][C:10](=[O:34])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([CH:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])=[C:14]([CH2:24][N:25]([C:27]([O:29][C:30]([CH3:32])([CH3:33])[CH3:31])=[O:28])[CH3:26])[CH:13]=2)=[C:38]([CH2:45][CH3:46])[CH:37]=1 | 1 |
ClC1=[N+](C=C(C=C1)C)[O-]>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>ClC1=[N+](C=C(C(=C1)[N+](=O)[O-])C)[O-] | 3 |
CN(C(=O)Cl)C.FC1(CCN(CC1)CC1=C2C=CC=NC2=C2C(=C1)C(N(C2)C2=CC(=CC=C2)O)=O)F>CS(=O)C.[H-].[Na+]>CN(C(OC1=CC(=CC=C1)N1C(C2=CC(=C3C=CC=NC3=C2C1)CN1CCC(CC1)(F)F)=O)=O)C | 3 |
COC=1C=CC2=C(N=CO2)C1.BrC1=C2C=C(N=CC2=C(N=C1)NC1CC1)NC(=O)C1CC1>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)NC=1N=CC(=C2C=C(N=CC12)NC(=O)C1CC1)C=1OC2=C(N1)C=C(C=C2)OC | 3 |
C(C1=CC=CC=C1)N1CCNCC1.BrCCCCCCS(=O)(=O)[O-].[Na+]>N(C)(C)C=O>C(C1=CC=CC=C1)N1CCN(CC1)CCCCCCS(=O)(=O)O | 3 |
[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH2:21])=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2].[CH:26]([O:29][C:30]1[CH:39]=[CH:38][C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[C:31]=1[CH:40]=O)([CH3:28])[CH3:27].C([SiH](CC)CC)C.FC(F)(F)C(O)=O>C(#N)C>[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH:21][CH2:40][C:31]4[C:32]5[C:37](=[CH:36][CH:35]=[CH:34][CH:33]=5)[CH:38]=[CH:39][C:30]=4[O:29][CH:26]([CH3:28])[CH3:27])=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2] | 2 |
C1(O)=C(C(O)=CC=C1)C=O.BrC=1C(=C(C(=O)N2C[C@@H](CCC2)CO)C=CC1)OCC>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>BrC=1C(=C(C(=O)N2C[C@@H](CCC2)COC2=C(C=O)C(=CC=C2)O)C=CC1)OCC | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.N1(CCOCC1)C1=CC2=C(C=N1)C=CN2>CO[H].[OH-].[K+]>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=CNC2=C1C=NC(=C2)N2CCOCC2 | 3 |
NC(=O)C1=CC(=NO1)N1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>C(#N)C1=CC(=NO1)N1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
C(C)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)C1=CC(=C(C=C1)Cl)CC1=CC=C(C=C1)OCC)COC(C)=O>O.CO[H].C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+]>C(C)OC1=CC=C(CC=2C=C(C=CC2Cl)[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C=C1 | 3 |
[Br:1][C:2]1[CH:8]=[C:7]([CH3:9])[C:5]([NH2:6])=[C:4]([CH3:10])[CH:3]=1.[CH:11]1([CH2:16][C:17](Cl)=[O:18])[CH2:15][CH2:14][CH2:13][CH2:12]1.O1CCCC1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[Br:1][C:2]1[CH:8]=[C:7]([CH3:9])[C:5]([NH:6][C:17](=[O:18])[CH2:16][CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)=[C:4]([CH3:10])[CH:3]=1 | 1 |
BrC=1C=C2C=C(NC2=CC1)C(=O)O>N(C)(C)C=O.C(C)OCC.ClS(Cl)=O>BrC=1C=C2C=C(NC2=CC1)C(=O)N | 3 |
ClC1=NC(=NC2=CC(=C(C=C12)OC)OC)C1CC1.Cl.CC1CN(CCN1)C1=CC=CC=C1>>C1(CC1)C1=NC2=CC(=C(C=C2C(=N1)N1CC(N(CC1)C1=CC=CC=C1)C)OC)OC | 5 |
ClC1=C(C=C(C=C1)C(CC)C1(CC1)C(=O)OC)[N+](=O)[O-]>[HH].C(C)(=O)OCC.[Pd]>NC=1C=C(C=CC1Cl)C(CC)C1(CC1)C(=O)OC | 3 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([NH2:17])[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][CH2:11][N:12]([CH2:15][CH3:16])[CH2:13][CH3:14].C(N(CC)CC)C.[Cl:25][C:26]1[CH:33]=[C:32]([Cl:34])[CH:31]=[CH:30][C:27]=1[CH2:28][NH2:29].CN([CH:38]=[O:39])C>C1COCC1>[Cl:2][C:3]1[CH:4]=[C:5]([NH:17][C:38]([NH:29][CH2:28][C:27]2[CH:30]=[CH:31][C:32]([Cl:34])=[CH:33][C:26]=2[Cl:25])=[O:39])[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][CH2:11][N:12]([CH2:15][CH3:16])[CH2:13][CH3:14] | 1 |
[CH2:1]([N:8]1[C:16]2[C:11](=[N:12][C:13](Cl)=[CH:14][CH:15]=2)[CH:10]=[C:9]1[C:18]([O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:28]([C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])[NH:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31].C([O-])([O-])=O.[Cs+].[Cs+]>C1(C)C=CC=CC=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.NC1C=CC=CC=1C1C=CC=CC=1[Pd]Cl>[CH2:1]([N:8]1[C:16]2[C:11](=[N:12][C:13]([N:28]([C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])[NH:29][C:30]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:31])=[CH:14][CH:15]=2)[CH:10]=[C:9]1[C:18]([O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[C:1]([CH2:3][C:4]([C:6]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[NH:8][CH:7]=1)=[O:5])#[N:2].CO[CH:17](OC)[N:18]([CH3:20])[CH3:19]>>[NH:8]1[C:9]2[C:14](=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:6]([C:4](=[O:5])[C:3]([C:1]#[N:2])=[CH:17][N:18]([CH3:19])[CH3:20])=[CH:7]1 | 1 |
OC=1N=C2N(C(C1)=O)C[C@](N2)(C(F)(F)F)C>O.C(C)(=O)OCC.ClCCCl.P(=O)(Cl)(Cl)Cl>ClC=1N=C2N(C(C1)=O)C[C@](N2)(C(F)(F)F)C | 3 |
FC1=CC=C(CN2C3=C(C=4C=CC=CC24)C[C@@H]2N(C3)C(N(C2=O)CCCC(=O)OC(C)(C)C)=O)C=C1>Cl.O1CCOCC1>FC1=CC=C(CN2C3=C(C=4C=CC=CC24)C[C@@H]2N(C3)C(N(C2=O)CCCC(=O)O)=O)C=C1 | 3 |
I[C:2]1[C:10]2[C:9]([CH3:11])=[N:8][CH:7]=[N:6][C:5]=2[N:4]([S:12]([C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=2)(=[O:14])=[O:13])[CH:3]=1.C([Mg]Cl)(C)C.[CH2:27]([N:29]([CH3:43])[S:30]([NH:33][C:34]1[CH:39]=[CH:38][CH:37]=[C:36]([CH:40]=[O:41])[C:35]=1[F:42])(=[O:32])=[O:31])[CH3:28].O>C1COCC1>[CH2:27]([N:29]([CH3:43])[S:30]([NH:33][C:34]1[C:35]([F:42])=[C:36]([CH:40]([OH:41])[C:2]2[C:10]3[C:9]([CH3:11])=[N:8][CH:7]=[N:6][C:5]=3[N:4]([S:12]([C:15]3[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=3)(=[O:14])=[O:13])[CH:3]=2)[CH:37]=[CH:38][CH:39]=1)(=[O:32])=[O:31])[CH3:28] | 2 |
[C:1]([O:5][C:6](=[O:29])[C:7]([O:10]/[N:11]=[C:12](/[C:16]1[N:17]=[C:18]([NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[S:19][CH:20]=1)\[C:13](O)=[O:14])([CH3:9])[CH3:8])([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:63]([O:67][C:68](=[O:83])[NH:69][CH2:70][C:71]1[N:75]([CH2:76][C@@H:77]2[C@H:80]([NH2:81])[C:79](=[O:82])[NH:78]2)[N:74]=[CH:73][N:72]=1)([CH3:66])([CH3:65])[CH3:64]>C(Cl)Cl.CN(C=O)C>[C:63]([O:67][C:68]([NH:69][CH2:70][C:71]1[N:75]([CH2:76][C@@H:77]2[C@H:80]([NH:81][C:13](=[O:14])/[C:12](=[N:11]\[O:10][C:7]([CH3:9])([CH3:8])[C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:29])/[C:16]3[N:17]=[C:18]([NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[S:19][CH:20]=3)[C:79](=[O:82])[NH:78]2)[N:74]=[CH:73][N:72]=1)=[O:83])([CH3:66])([CH3:64])[CH3:65] | 2 |
C1(CCCCC1)[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(C=C(C=C1)C1=CC=C(C=C1)C=O)NC(=O)NC1=C(C=C(C=C1C)C)C>C1CCNC1.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C1(CCCCC1)[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(C=C(C=C1)C1=CC=C(C=C1)CN1CCCC1)NC(=O)NC1=C(C=C(C=C1C)C)C | 3 |
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:4]=[C:5]([CH:14]=[CH:15][CH:16]=1)[C:6]([CH:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)=[O:7].C([O-])([O-])=O.[Na+].[Na+].[C:25](Cl)(=[O:27])[CH3:26]>C1C=CC=CC=1>[C:25]([N:11]1[CH2:12][CH2:13][CH:8]([C:6](=[O:7])[C:5]2[CH:14]=[CH:15][CH:16]=[C:3]([C:2]([F:1])([F:17])[F:18])[CH:4]=2)[CH2:9][CH2:10]1)(=[O:27])[CH3:26] | 1 |
N1N=CN=C1.CC(C(=O)C1=CC=C(C=C1)C(F)(F)F)(C)S[C@H]1CO[C@@H](OC1)C1=CC=CC=C1>>CC(C(CN1N=CN=C1)O)(C)S[C@H]1CO[C@@H](OC1)C1=CC=CC=C1 | 5 |
CNCCO.BrC1=C2C(=NC(=NC2=CC=C1)C1CC1)O>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C.N1[C@H](C(=O)O)CCC1>C1(CC1)C1=NC2=CC=CC(=C2C(=N1)O)N(C)CCO | 3 |
FC=1C=C(CN)C=CC1F.ClC1=CC=C(C=CC=O)C=C1>>ClC1=CC=C(C=C1)C=CCNCC1=CC(=C(C=C1)F)F | 5 |
F[C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[O:5].[N:10]1([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.[Cu]>[C:19]([O:18][C:16]([N:10]1[CH2:15][CH2:14][N:13]([C:2]2[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=2[CH:4]=[O:5])[CH2:12][CH2:11]1)=[O:17])([CH3:22])([CH3:20])[CH3:21] | 1 |
C(C1=CC=CC=C1)(=O)N=C=S.BrC=1C=CC(=C(C1)[C@](CF)(CC(OC)OC)N)F>ClCCl.[OH-].[Na+]>BrC=1C=CC(=C(C1)[C@]1(N=C(SC=C1)N)CF)F | 3 |
[CH3:1][NH:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([CH:13]=O)[CH:11]=2)[N:6]=[CH:5][N:4]=1.[NH:15]=[C:16]1[NH:20][C:19](=[O:21])[CH2:18][S:17]1>>[NH:15]=[C:16]1[NH:20][C:19](=[O:21])[C:18](=[CH:13][C:10]2[CH:11]=[C:12]3[C:7](=[CH:8][CH:9]=2)[N:6]=[CH:5][N:4]=[C:3]3[NH:2][CH3:1])[S:17]1 | 1 |
C1(CCC1)=CC(=O)OC.FC(C(=O)N([C@H]1[C@@H](C1)C1=CC=CC=C1)CC1(CCNCC1)COC)(F)F>CC#N.C1CCC2=NCCCN2CC1>COC(CC1(CCC1)N1CCC(CC1)(CN(C(C(F)(F)F)=O)[C@H]1[C@@H](C1)C1=CC=CC=C1)COC)=O | 3 |
[CH3:1][C:2]1[N:3]=[C:4]2[N:8]([C:9](=[O:19])[C:10]=1C1C=CC(C#N)=CC=1)[C:7]1[CH:20]=[CH:21][CH:22]=[CH:23][C:6]=1[S:5]2.[F:24][C:25]([F:36])([F:35])[C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1.C(=O)([O-])[O-].[Na+].[Na+].C(O)C>C1(C)C=CC=CC=1.O>[CH3:1][C:2]1[N:3]=[C:4]2[N:8]([C:9](=[O:19])[C:10]=1[C:29]1[CH:30]=[CH:31][C:26]([C:25]([F:36])([F:35])[F:24])=[CH:27][CH:28]=1)[C:7]1[CH:20]=[CH:21][CH:22]=[CH:23][C:6]=1[S:5]2 | 1 |
ClCC(=O)NC1=C(C=CC=C1)SC1=C(C=C(C=C1)C)C>O.C(C)(=O)OC(C)C.C(O)CN>CC1=C(C=CC(=C1)C)SC1=C(C=CC=C1)NC(CNCCO)=O | 3 |
C(C)(C)(C)OC(=O)NCC1=CC=C(C(=O)O)C=C1.C(C1=CC=CC=C1)OC=1C=C2C=CC(=CC2=CC1)C1=CC=2N(C(=N1)NC1=CC=C(C=C1)N)N=CC2>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>C(C)(C)(C)OC(NCC1=CC=C(C=C1)C(NC1=CC=C(C=C1)NC1=NC(=CC=2N1N=CC2)C2=CC1=CC=C(C=C1C=C2)OCC2=CC=CC=C2)=O)=O | 3 |
CN(C(OC(C)(C)C)=O)CCS(=O)(=O)C>Cl.C(C)(=O)OCC>Cl.CNCCS(=O)(=O)C | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10]3=[C:11]([CH2:13][CH2:14][N:9]3[C:8]3[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:7]2=3)[CH:12]=1)([O-])=O>[Pd]>[CH:5]1[C:4]([NH2:1])=[CH:12][C:11]2[CH2:13][CH2:14][N:9]3[C:10]=2[C:6]=1[C:7]1[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][C:8]=13 | 1 |
C1(CCCCC1)CCOC=1C=CC(=NC1)CO>>C1(CCCCC1)CCOC=1C=CC(=NC1)C=O | 5 |
FC(C(=O)O)(F)F.BrC=1C(N(C(=CC1OCC1=C(C=C(C=C1)F)F)C)CC1=NC(=NC=C1)C#N)=O>>FC(C(=O)O)(F)F.BrC=1C(N(C(=CC1OCC1=C(C=C(C=C1)F)F)C)CC1=NC(=NC=C1)O)=O | 5 |
C(C)C(CC)C=1C=2N(N=C(C1)C)C(=C(N2)C)I.C(C)(C)C=1C=CC=C2C=C(N(C12)C)C>N(C)(C)C=O.C(C)(=O)OCC.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+]>CN1C(=CC2=CC(=CC=C12)C)C1=C(N=C2N1N=C(C=C2C(CC)CC)C)C | 3 |
O1CCOC12CC(C(C2)C(=O)OC)C(=O)OC>O.C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCOC12CC(C(C2)CO)CO | 3 |
ClC=1C=CC(=C(C1)/C=C/C(=O)O)N1N=NN=C1.C(C)(C)(C)OC(=O)C1=CC=C(C=C1)NC(=O)C1C(CC(CN1)OC1CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1>>C(C)(C)(C)OC(=O)C1=CC=C(C=C1)NC(=O)C1C(CC(CN1C(\C=C\C1=C(C=CC(=C1)Cl)N1N=NN=C1)=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1 | 5 |
NC1(CCCC1)C(=O)O.C(=O)C1=C2C(=NC=C1)N(C=C2C(=O)OC)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1C=C(C=2C1=NC=CC2CNC2(CCCC2)C(=O)O)C(=O)OC | 5 |
C[Si](CCOCN1N=C2C=CC(=CC2=C1)N)(C)C.ClC1=NC(=CC=C1C#CC(C)C)C(F)(F)F>C1(=CC=CC=C1)C.O.C(C)(=O)OCC.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].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>N1N=CC2=CC(=CC=C12)N1C(=CC=2C1=NC(=CC2)C(F)(F)F)C(C)C | 3 |
[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][CH:3]=1.Br[C:13]1[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=1>>[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=2)[CH:3]=1 | 1 |
CN(C)C=O.CC(=O)N(C)C.BrC1=C(C=CC(=C1CC)[N+](=O)[O-])C>C1CCNC1>BrC1=C(C(=CC=C1CC)[N+](=O)[O-])C=CN1CCCC1 | 3 |
C([CH2:8][CH2:9][CH2:10][N:11]([CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:12]([O:14][CH2:15][C:16]1[S:20][CH:19]=[N:18][CH:17]=1)=[O:13])C1C=CC=CC=1.[CH:28]([N:31](C(C)C)CC)(C)C.Cl[C:38]([O:40][CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:39].CCO[C:51]([CH3:53])=O.[CH2:54]1[CH2:58]O[CH2:56][CH2:55]1>>[CH2:28]([N:31]([CH2:8][CH2:9][CH2:10][N:11]([CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)[C:12]([O:14][CH2:15][C:16]1[S:20][CH:19]=[N:18][CH:17]=1)=[O:13])[C:38](=[O:39])[O:40][CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)[C:51]1[CH:53]=[CH:58][CH:54]=[CH:55][CH:56]=1 | 2 |
[N+](=O)([O-])C=1C=C(C=CC1)O.ClC=1C2=C(N=CN1)NC(=C2C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C=C(OC=2C3=C(N=CN2)NC(=C3C)C)C=CC1 | 3 |
[N+:1]([C:4]1[C:5]([C:9]([O:11][CH3:12])=[O:10])=[N:6][NH:7][CH:8]=1)([O-])=O>[Pd].CO>[NH2:1][C:4]1[C:5]([C:9]([O:11][CH3:12])=[O:10])=[N:6][NH:7][CH:8]=1 | 2 |
[N:1]1[CH:6]=[CH:5][C:4]([NH:7][C:8]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[NH:10][C:9]=2[C:17]([NH2:19])=O)=[CH:3][CH:2]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[NH2:19][CH2:17][C:9]1[NH:10][C:11]2[C:16]([C:8]=1[NH:7][C:4]1[CH:5]=[CH:6][N:1]=[CH:2][CH:3]=1)=[CH:15][CH:14]=[CH:13][CH:12]=2 | 1 |
[C:1]([C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6](Cl)=[O:7])#[N:2].[S-:12][C:13]#[N:14].[Na+]>CCOC(C)=O>[C:1]([C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([N:14]=[C:13]=[S:12])=[O:7])#[N:2] | 2 |
ClC1=CC=C(S1)B(O)O.BrC=1C(=C(C(=CC1)Cl)CC(=O)NC=1N=CSC1C(=O)OC)Cl>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>ClC1=C(C(=CC=C1C=1SC(=CC1)Cl)Cl)CC(=O)NC=1N=CSC1C(=O)OC | 3 |
BrC1=CC(=C(CN2C(C3=C(C2)C=C(S3)C(C)(C)C)=O)C=C1)F>>C(C)(C)(C)C1=CC2=C(C(N(C2)CC2=C(C=C(C=C2)B2OC(C(O2)(C)C)(C)C)F)=O)S1 | 5 |
C1=CC=CC=2C3=CC=CC=C3NC12.IC=1C=C(C(=O)OC)C=C(C1)I>>C1=CC=CC=2C3=CC=CC=C3N(C12)C=1C=C(C(=O)OC)C=C(C1)N1C2=CC=CC=C2C=2C=CC=CC12 | 5 |
[H-].[Na+].[C:3]1([CH2:9][N:10]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C:11]2[C:20]3[N:21]=[C:22]([CH3:24])[NH:23][C:19]=3[C:18]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[N:12]=2)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[CH2:32]([O:34][CH2:35]Cl)[CH3:33]>O1CCCC1.C(OCC)C>[C:26]1([CH2:25][N:10]([CH2:9][C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:11]2[C:20]3[N:21]=[C:22]([CH3:24])[N:23]([CH2:35][O:34][CH2:32][CH3:33])[C:19]=3[C:18]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[N:12]=2)[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1 | 1 |
[NH2:1][C:2]1[NH:6][N:5]=[N:4][C:3]=1[C:7]([NH2:9])=[O:8].[H-].[Na+].[Cl:12][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][C:20]=1[Cl:21])[CH2:16]Cl.O>CN(C)C=O.C(O)(=O)C>[NH2:1][C:2]1[N:6]([CH2:16][C:15]2[CH:18]=[CH:19][C:20]([Cl:21])=[C:13]([Cl:12])[CH:14]=2)[N:5]=[N:4][C:3]=1[C:7]([NH2:9])=[O:8] | 1 |
[C:1]([O:5][C:6](=[O:37])[NH:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[N:13]([CH3:17])[CH:12]=[C:11]2[C:18]1[N:26](S(C2C=CC(C)=CC=2)(=O)=O)[C:21]2=[N:22][CH:23]=[CH:24][CH:25]=[C:20]2[CH:19]=1)([CH3:4])([CH3:3])[CH3:2].[OH-].[K+]>CO>[C:1]([O:5][C:6](=[O:37])[NH:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[N:13]([CH3:17])[CH:12]=[C:11]2[C:18]1[NH:26][C:21]2=[N:22][CH:23]=[CH:24][CH:25]=[C:20]2[CH:19]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[Br-].C(C)OC(CCC[Zn+])=O.ClC=1C(=CC=C2C=C(C=C(C12)B1OC(C(O1)(C)C)(C)C)OCOC)F>N(C)(C)C=O.[Cl-].[NH4+].[Br-].[Li+].Cl[Pd]Cl.Clc1cccnc1.CC(C)c2cccc(C(C)C)c2N3CN(C=C3)c4c(cccc4C(C)C)C(C)C>FC1=C(C2=C(C=C(C=C2C=C1)OCOC)B1OC(C(O1)(C)C)(C)C)CCCC(=O)OCC | 3 |
NN1C(N(C(C=C1C(F)(F)F)=O)C1=C(C=C(C(=C1)C=NOC)Cl)F)=O>C1(=CC=CC=C1)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>NN1C(N(C(C=C1C(F)(F)F)=S)C1=C(C=C(C(=C1)C=NOC)Cl)F)=O | 3 |
[CH3:1][O:2][CH2:3][C:4]1[C:8]([CH:9]=[O:10])=[CH:7][N:6]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([C:17]([F:20])([F:19])[F:18])[N:12]=2)[N:5]=1.[CH:21]1([Mg]Br)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1>O1CCCC1>[CH:21]1([CH:9]([C:8]2[C:4]([CH2:3][O:2][CH3:1])=[N:5][N:6]([C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([C:17]([F:20])([F:18])[F:19])[N:12]=3)[CH:7]=2)[OH:10])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1 | 1 |
C(C)(=O)OC1=CC(=CC=C1)C(N)=NOC(C)=O>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)(=O)OC1=CC(=CC=C1)C1=NOC(=N1)C | 3 |
CNN.C1(CCCC1)NC1=C2C(=NC=C1C(=O)O)N(N=C2)CC>>C1(CCCC1)NC1=C2C(=NC=C1C(=O)N(N)C)N(N=C2)CC | 5 |
NC1=C(C=CC=C1C(N)=O)NC(=O)C1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C>>N1CCC(CC1)C1=CC=C(C=C1)C1=NC2=C(N1)C=CC=C2C(=O)N | 5 |
FC1=NC=CC(=C1)C#CC=1N=C(N(C1C)C=1C=NC(=CC1)C)C(=O)OC>N>FC1=NC=CC(=C1)C#CC=1N=C(N(C1C)C=1C=NC(=CC1)C)C(=O)N | 3 |
C(C)OC(C)OC(C#CC1(C(=CCCC1(C)C)C)O)(C=C)C>C(C)(=O)O.CCCCCC>CC1=C(C(CCC1OC(C)=O)(C)C)C#CC(C=C)(O)C | 3 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.FC1=C(C=CC(=C1)F)C1(OC1)C(C1=CC=C(C=N1)O)(F)F>C([O-])([O-])=O.[K+].[K+].CC(=O)C>FC1=C(C=CC(=C1)F)C1(OC1)C(C1=NC=C(C=C1)OCC(F)(F)F)(F)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.O1C(=CC=C1)C1(CC1)N>>O1C(=CC=C1)C1(CC1)NC(OC(C)(C)C)=O | 5 |
FC1=C(C=CC(=C1)F)CS(=O)(=O)NC1=C(C=C(C=C1)C=1C=C(C=2N=C(N=CC2N1)N[C@@H]1CN(C[C@H](C1)F)C(=O)OC(C)(C)C)C)F>Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>FC1=C(C=CC(=C1)F)CS(=O)(=O)NC1=C(C=C(C=C1)C=1C=C(C=2N=C(N=CC2N1)N[C@@H]1CNC[C@H](C1)F)C)F | 3 |
[C:1]([C:5]1[CH:6]=[C:7]([NH:18][C:19]([NH:21][C@@H:22]2[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[C@H:25]([O:32][C:33]3[CH:34]=[CH:35][C:36]4[N:37]([C:39]([N:42]5[CH2:47][CH2:46][CH2:45][CH2:44][C@@H:43]5[CH3:48])=[N:40][N:41]=4)[CH:38]=3)[CH2:24][CH2:23]2)=[O:20])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([CH:16]=O)=[CH:12][CH:11]=2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2].[NH:49]1[CH2:53][CH2:52][CH2:51][CH2:50]1.[C:54]([O:57][BH-](OC(=O)C)OC(=O)C)(=[O:56])C.[Na+].O>C(Cl)Cl>[CH:54]([OH:57])=[O:56].[C:1]([C:5]1[CH:6]=[C:7]([NH:18][C:19]([NH:21][C@@H:22]2[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[C@H:25]([O:32][C:33]3[CH:34]=[CH:35][C:36]4[N:37]([C:39]([N:42]5[CH2:47][CH2:46][CH2:45][CH2:44][C@@H:43]5[CH3:48])=[N:40][N:41]=4)[CH:38]=3)[CH2:24][CH2:23]2)=[O:20])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([CH2:16][N:49]3[CH2:53][CH2:52][CH2:51][CH2:50]3)=[CH:12][CH:11]=2)[N:9]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH2:11][CH2:12][CH3:13])[CH:5]=[O:6].ClC1C=C(C=CC=1OCC)C=[O:19]>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH2:11][CH2:12][CH3:13])[C:5]([OH:19])=[O:6] | 1 |
C(C)OC(\C=C(\C)/N)=O.FC(/C(=C/C(=O)C1=CC=C(C=C1)C(F)(F)F)/O)(F)F>>C(C)OC(C1=C(N=C(C=C1C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F)C)=O | 5 |
[CH2:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]#[CH:11])=[CH:6][CH:5]=1)[CH2:2][CH3:3].Br[C:13]1[CH:22]=[CH:21][C:20]2[C:15](=[CH:16][CH:17]=[C:18]([O:24][C:25]([F:28])([F:27])[F:26])[C:19]=2[F:23])[CH:14]=1.C1(C)C=CC=CC=1.O>CN(C)C=O.[Cu](I)I.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>[F:23][C:19]1[C:20]2[C:15](=[CH:14][C:13]([C:11]#[C:10][C:7]3[CH:8]=[CH:9][C:4]([CH2:1][CH2:2][CH3:3])=[CH:5][CH:6]=3)=[CH:22][CH:21]=2)[CH:16]=[CH:17][C:18]=1[O:24][C:25]([F:28])([F:27])[F:26] | 1 |
ClC(C(=O)N=C=O)(Cl)Cl.C(CCC)C=1N(C2=C(C=NC=3C=CC=CC23)N1)CC(C(=O)OCC)(C)C>ClC=1C=C(C(=O)OO)C=CC1>NC1=NC=2C=CC=CC2C2=C1N=C(N2CC(C(=O)OC)(C)C)CCCC | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([OH:12])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[CH2:15]([O:22][C:23]1[C:28](F)=[CH:27][C:26]([Cl:30])=[CH:25][N:24]=1)[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.O>CN1C(=O)CCC1.CCOC(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([O:12][C:28]2[C:23]([O:22][CH2:15][C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=3)=[N:24][CH:25]=[C:26]([Cl:30])[CH:27]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC=C(C=C1)N.BrC=1N=C(C=2N(C1)C=CN2)Br>>BrC=1N=C(C=2N(C1)C=CN2)NC2=CC=C(C=C2)C2CCN(CC2)C(=O)OC(C)(C)C | 5 |
COC(CBr)OC.OC=1C=C(C(C(=O)OC)=CC1)C(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC(COC=1C=C(C(=CC1)C(=O)OC)C(=O)OC)OC | 3 |
O1CCCC1.[CH:6]([OH:9])([CH3:8])[CH3:7].[H-].[Na+].[Br:12][C:13]1[N:30]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:38])([CH3:37])[CH3:36])[C:16]2[CH:17]=[N:18][N:19]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:29])([CH3:28])[CH3:27])[C:20](=[O:21])[C:15]=2[C:14]=1[CH2:39]Br>O>[Br:12][C:13]1[N:30]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:38])([CH3:37])[CH3:36])[C:16]2[CH:17]=[N:18][N:19]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:29])([CH3:28])[CH3:27])[C:20](=[O:21])[C:15]=2[C:14]=1[CH2:39][O:9][CH:6]([CH3:8])[CH3:7] | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.