smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=CC=C(C=C1)NC(C)=O>>BrC=1C=C(C=CC1OC)NC(C)=O | 5 |
[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][C:5]=1[NH:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)([O-])=O>CCOC(C)=O.O=[Pt]=O>[NH2:1][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][C:5]=1[NH:12][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 1 |
N\C(\C(C)(C)NC(OC(C)(C)C)=O)=N/O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(=O)O>CC1=NC(=NO1)C(C)(C)NC(OC(C)(C)C)=O | 3 |
C(C)C1=NC(=CC=C1OCC(=O)OC)C>CCO[H].NN>C(C)C1=NC(=CC=C1OCC(=O)NN)C | 3 |
[OH:1][C@@H:2](C(O)=O)[C@@H:3](O)C(O)=O.[NH2:11][C@H:12]([CH2:23][O:24][CH3:25])[C:13]([NH:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14].[NH4+].[OH-]>O>[C:2]([NH:11][C@H:12]([CH2:23][O:24][CH3:25])[C:13]([NH:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14])(=[O:1])[CH3:3] | 1 |
[CH3:1][C:2]([CH3:5])([O-:4])[CH3:3].[K+].[CH:7]12[CH2:13][CH:10]([CH:11]=[CH:12]1)[CH:9]([C:14](Cl)=[O:15])[CH:8]2[C:17](Cl)=[O:18]>O1CCCC1>[C:2]([O:4][C:17]([CH:8]1[CH:9]([C:14]([O:4][C:2]([CH3:5])([CH3:3])[CH3:1])=[O:15])[CH:10]2[CH2:13][CH:7]1[CH:12]=[CH:11]2)=[O:18])([CH3:5])([CH3:3])[CH3:1] | 1 |
[OH:1]I1(=O)C2C=CC=CC=2C(=O)O1.[OH:13][C:14]1[CH:15]=[CH:16][C:17]2[CH2:18][C@H:19]3[N:30]([C:31]([O:33][CH2:34][C:35]4[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=4)=[O:32])[CH2:29][CH2:28][C@@:25]4([C:26]=2[CH:27]=1)[C@H:20]3[CH2:21][CH2:22][CH2:23][CH2:24]4.[BH4-].[Na+].C(O)(=O)C>C(Cl)(Cl)Cl.CO>[OH:1][C:15]1[C:14]([OH:13])=[CH:27][C:26]2[C@:25]34[CH2:28][CH2:29][N:30]([C:31]([O:33][CH2:34][C:35]5[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=5)=[O:32])[C@@H:19]([C@@H:20]3[CH2:21][CH2:22][CH2:23][CH2:24]4)[CH2:18][C:17]=2[CH:16]=1 | 2 |
[CH3:1][O:2][C:3](=[O:14])[CH:4]=[CH:5][O:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1Br.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C([O-])(O)=O.[Na+]>CN(C=O)C.CCOCC.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:1][O:2][C:3]([C:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[O:6][CH:5]=1)=[O:14] | 1 |
NC12CC(C1)(C2)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.C12(CC(C1)(C2)N)N | 3 |
BrC=1C=C(C=CC1)C(=O)C1=CC=CC=C1>>BrC1=CC(=CC=C1)C(=C)C1=CC=CC=C1 | 5 |
C1(=CC(=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)N[C@H]3CN(CCC3)C(=O)OC(C)(C)C)=O)C3=CC=CC=C3>Cl.O1CCOCC1>C1(=CC(=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)N[C@H]3CNCCC3)=O)C3=CC=CC=C3 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C2C=CC(=NC2=C1)CNCC1=C(C=C(C=C1)OC)OC>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>BrC1=CC=C2C=CC(=NC2=C1)CNC(OC(C)(C)C)=O | 3 |
CS(=O)(=O)Cl.C(C)C=1C=CC(=NC1)CCO>C1(=CC=CC=C1)C.CCN(CC)CC>CS(=O)(=O)OCCC1=NC=C(C=C1)CC | 3 |
C(C#C)O.FC=1C=C(C=O)C=C(C1F)F>>FC=1C=C(C=O)C=C(C1OCC#C)F | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([C:9]23[CH2:16][CH:15]([OH:17])[CH2:14][CH:13]2[CH2:12][O:11][N:10]3CC2C=CC(OC)=CC=2OC)[CH:5]=[CH:6][C:7]=1[F:8].C([SiH](CC)CC)C>C(O)(C(F)(F)F)=O>[Br:1][C:2]1[CH:3]=[C:4]([C:9]23[CH2:16][CH:15]([OH:17])[CH2:14][CH:13]2[CH2:12][O:11][NH:10]3)[CH:5]=[CH:6][C:7]=1[F:8] | 1 |
N1CCC(C(=O)OCC)CC1.S1C(=CC=C1)S(=O)(=O)Cl>c1ccncc1>C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C=1SC=CC1 | 3 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)[C@@H:10]([O:29][Si](C(C)(C)C)(C)C)[CH2:11][CH:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=2)=[CH:19][CH:18]=1)C(O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].C1C=CC(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:51])=CC=1.C([N:63]([CH2:66]C)CC)C.[CH2:68]([OH:75])[C:69]1[CH:74]=[CH:73][CH:72]=[CH:71][CH:70]=1>C1(C)C=CC=CC=1>[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)[C@@H:10]([OH:29])[CH2:11][C@H:12]([NH:63][C:66](=[O:51])[O:75][CH2:68][C:69]1[CH:74]=[CH:73][CH:72]=[CH:71][CH:70]=1)[CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=2)=[CH:19][CH:18]=1)=[O:7])([CH3:3])([CH3:2])[CH3:4] | 1 |
OC1CCN(CC1)C1=NC=C(C(=O)N)C=C1>>C(OC1CCN(CC1)C1=NC=C(C=C1)C(N)=O)(OC1=CC=C(C=C1)[N+](=O)[O-])=O | 5 |
Cl.COC(=O)C1CNC1.ClC1=C(C=C(C=C1)N(C(C)C=1C=CC(=C(COS(=O)(=O)C)C1)C=C)CC)C(F)(F)F>CC#N.[I-].[Na+].C(C)(C)N(C(C)C)CC>COC(=O)C1CN(C1)CC1=C(C=CC(=C1)C(C)N(CC)C1=CC(=C(C=C1)Cl)C(F)(F)F)C=C | 3 |
C1(=CC=C(C=C1)S(=O)(=O)[N+]#[C-])C.C(C)NC(=O)[C@@H]1C[C@@H](CC1)/N=C/C1=CC=C(C=C1)Br>>C(C)NC(=O)[C@@H]1C[C@@H](CC1)N1C=NC=C1C1=CC=C(C=C1)Br | 5 |
[CH2:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:26])[C@@H:15]([NH:18]C(OC(C)(C)C)=O)[CH2:16][F:17])[CH2:10][CH2:9]1)=[O:7])[CH2:2][CH2:3][CH3:4].C(O)(C(F)(F)F)=O>ClCCl>[CH2:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:26])[C@@H:15]([NH2:18])[CH2:16][F:17])[CH2:12][CH2:13]1)=[O:7])[CH2:2][CH2:3][CH3:4] | 1 |
NC1=C(C=C(C=C1F)Br)CO>ClCCl.[O-2].[Mn+2]>NC1=C(C=O)C=C(C=C1F)Br | 3 |
Cl[C:2]1[C:3](=[O:12])[N:4]([CH3:11])[N:5]=[CH:6][C:7]=1[N:8]([CH3:10])[CH3:9].[CH:13]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1B(O)O)=[O:14].C([O-])([O-])=O.[Na+].[Na+].C(Cl)(Cl)Cl.CC(C)=O>C(COC)OC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:9][N:8]([CH3:10])[C:7]1[CH:6]=[N:5][N:4]([CH3:11])[C:3](=[O:12])[C:2]=1[C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[CH:13]=[O:14] | 1 |
OC1=C(C#N)C(=C(C(=N1)C(C)C)[N+](=O)[O-])C(C)C>O.S(O)(O)(=O)=O>C(C)(C)C1=CC(=NC(=C1[N+](=O)[O-])C(C)C)O | 3 |
O=C1N(CCC(N1)=O)C1=CC=C(C=C1)N1CCC(CC1)C=O.CC=1C=C(C=CC1CNC(C1=C(C(=C(C(=C1OC)F)F)F)F)=O)C1=NN2C(NC3=C(CC2)C=C(C=C3)N3CCNCC3)=C1C(=O)N>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>O=C1N(CCC(N1)=O)C1=CC=C(C=C1)N1CCC(CC1)CN1CCN(CC1)C1=CC2=C(NC=3N(CC2)N=C(C3C(=O)N)C3=CC(=C(C=C3)CNC(C3=C(C(=C(C(=C3OC)F)F)F)F)=O)C)C=C1 | 3 |
CC1=C(C(=CC=C1)C)OC(CBr)=O.C1(CCCCC1)N1N=CC=C1>CC#N>[Br-].C1(CCCCC1)N1[N+](=CC=C1)CC(=O)OC1=C(C=CC=C1C)C | 3 |
COC1COC2=C(C1=O)C=C(C(=C2)NS(=O)(=O)C)OC2=CC=CC=C2>O1CCOCC1.ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>COC1=COC2=C(C1=O)C=C(C(=C2)NS(=O)(=O)C)OC2=CC=CC=C2 | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=CC2=C(N(C=N2)CN(C)C)C=C1.COC(C1=CC(=C(C=C1)C#N)C1=C(N=CC2=CC=CC=C12)C)=O>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.C(C)(C)[N-]C(C)C.[Li+].CCCCCC.CCCC(C)C.CCC(C)CC>C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=CC2=C(NC(=N2)C(C2=CC(=C(C=C2)C#N)C2=C(N=CC3=CC=CC=C23)C)=O)C=C1 | 3 |
[K].[C:2]([C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1)#[N:3].[Br:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]Br>>[C:2]([C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][Br:11])=[CH:6][CH:5]=1)#[N:3] | 1 |
FC=1C=C(CCl)C=CC1.FC=1C=C2C=C(NC2=CC1)C(=O)OCC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC=1C=C2C=C(N(C2=CC1)CC1=CC(=CC=C1)F)C(=O)OCC | 3 |
C(C)OC(C1=C(C=C(C=C1)C(C)(C)O)F)OCC>>FC1=C(C=O)C=CC(=C1)C(C)(C)O | 5 |
[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([CH:12]3[CH2:15][N:14]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:13]3)[N:9]=[C:10](I)[C:3]=12.[CH3:23][C:24]1[CH:25]=[C:26]([CH3:49])[C:27]2[O:31][C:30]([NH:32][C:33]3[CH:38]=[CH:37][C:36](B4OC(C)(C)C(C)(C)O4)=[CH:35][CH:34]=3)=[N:29][C:28]=2[CH:48]=1.C(=O)([O-])[O-].[Na+].[Na+]>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>[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([CH:12]3[CH2:15][N:14]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:13]3)[N:9]=[C:10]([C:36]3[CH:35]=[CH:34][C:33]([NH:32][C:30]4[O:31][C:27]5[C:26]([CH3:49])=[CH:25][C:24]([CH3:23])=[CH:48][C:28]=5[N:29]=4)=[CH:38][CH:37]=3)[C:3]=12 | 1 |
C(C1=CC=CC=C1)(=O)Cl.C(C)C1=CC2=C(O1)C=CC=C2>ClCCl.[Sn](Cl)(Cl)(Cl)Cl>C(C)C=1OC2=C(C1C(=O)C1=CC=CC=C1)C=CC=C2 | 3 |
C(C1=CC=CC=C1)OC(=O)N1C2(CCC1CC2)C(=O)O>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>ClC(=O)C12CCC(CC1)N2C(=O)OCC2=CC=CC=C2 | 3 |
[C:1]1([C:7]#[CH:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.I[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>>[C:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)#[C:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[NH:1]([C:8]([C@H:10]1[N:14]2[C:15](=[O:41])[C:16]([N:19]([CH2:30][C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:40])([F:39])[F:38])[CH:32]=3)C(=O)OCC3C=CC=CC=3)=[CH:17][N:18]=[C:13]2[CH:12]([CH3:42])[CH2:11]1)=[O:9])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.Br[CH2:54][C:55]([O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:56]>C1COCC1>[NH:1]([C:8]([C@H:10]1[N:14]2[C:15](=[O:41])[C:16]([NH:19][CH2:30][C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:39])([F:40])[F:38])[CH:32]=3)=[CH:17][N:18]=[C:13]2[C@:12]([CH2:54][C:55]([O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:56])([CH3:42])[CH2:11]1)=[O:9])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
CC1(OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1)C.BrC=1C=C(C(=C(C(=O)OC)C1)C)N(CCC)[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)(C)OC(=O)N[C@@H]1CC[C@H](CC1)N(C=1C(=C(C=C(C1)C1=CC=C(C=C1)CN1CCOCC1)C(=O)OC)C)CCC | 3 |
BrC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2.C1(CC1)C1(CC1)C(=O)N(C)OC>C1CCCO1.[Cl-].[NH4+].C(C)(C)[Mg]Cl>C1(CC1)C1(CC1)C(=O)C=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC=CC=C2 | 3 |
C(C)(C)(C)OC(NCC1CCN(CC1)S(=O)(=O)CCC1=CC=C(C=C1)F)=O>>FC1=CC=C(C=C1)CCS(=O)(=O)N1CCC(CC1)CN | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](F)=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=1.Cl.[NH2:13][CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17].C(N(C(C)C)C(C)C)C>O1CCCC1.O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:13][CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=1 | 1 |
C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O.O1CC(C1)O>>C(ON1C(CCC1=O)=O)(OC1COC1)=O | 5 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[N+:10]([O-:12])=[O:11])[CH2:5]Cl.[F:13][C:14]([F:31])([C:19]1[C:23]([C:24]([F:30])([F:29])[C:25]([F:28])([F:27])[F:26])=[CH:22][NH:21][N:20]=1)[C:15]([F:18])([F:17])[F:16].C(=O)([O-])[O-].[K+].[K+].O>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.C(#N)C.C1OCCOCCOCCOCCOCCOC1>[CH3:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[N+:10]([O-:12])=[O:11])[CH2:5][N:21]1[CH:22]=[C:23]([C:24]([F:30])([F:29])[C:25]([F:28])([F:27])[F:26])[C:19]([C:14]([F:13])([F:31])[C:15]([F:16])([F:17])[F:18])=[N:20]1 | 2 |
[CH:1]1([C:6]2[C:7]([OH:28])=[CH:8][C:9]([N+:25]([O-:27])=[O:26])=[C:10]([C:12]3[CH2:13][CH2:14][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:16][CH:17]=3)[CH:11]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.Cl[C:37]([O:39][CH3:40])=[O:38]>ClCCl>[CH:1]1([C:6]2[C:7]([O:28][C:37]([O:39][CH3:40])=[O:38])=[CH:8][C:9]([N+:25]([O-:27])=[O:26])=[C:10]([C:12]3[CH2:13][CH2:14][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:16][CH:17]=3)[CH:11]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1 | 1 |
C1(CC1)C1=C(N(C(O1)=O)CCC1=C(C=CC=C1Cl)Cl)C(=O)OC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1(CC1)C1=C(N(C(O1)=O)CCC1=C(C=CC=C1Cl)Cl)CO | 3 |
N1C(=CC2=CC=CC=C12)C(=O)O.Cl.Cl.N1[C@H](CCC1)COC=1C(=NC=CC1)C(=O)N>>N1C(=CC2=CC=CC=C12)C(=O)N1[C@H](CCC1)COC=1C(=NC=CC1)C(=O)N | 5 |
BrC(C(C1=CC(=CC=C1)F)Br)C1=NC(=CN=C1)C>>FC=1C=C(C=CC1)C#CC1=NC(=CN=C1)C | 5 |
FC1=C(C(=C(C(=C1CBr)F)F)F)F.N1C=NC2=C1C=C(C=C2)C2=NN=C(O2)S>>FC1=C(C(=C(C(=C1CSC1=NN=C(O1)C1=CC2=C(NC=N2)C=C1)F)F)F)F | 5 |
[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7](Br)[CH:6]=1.C[O-].C([Sn+](CCCC)CCCC)CCC.C([O:31][C:32]([CH3:34])=[CH2:33])(=O)C.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.[F-].[K+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.CCOC(C)=O>[O:31]=[C:32]([CH3:34])[CH2:33][C:7]1[CH:6]=[C:5]([CH2:4][C:3]([O:2][CH3:1])=[O:12])[CH:10]=[CH:9][CH:8]=1 | 1 |
OC1=CC2=CC=C(C=C2C=C1)O>O.ClCCl.c1ccncc1.CCCCCC.CCCC(C)C.CCC(C)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=CC2=CC=C(C=C2C=C1)O)(F)F | 3 |
C1[C@@H](C)O1.BrC=1C=C2CCNCC2=C(C1)OC>CCO[H].Cl.C(C)(C)N(C(C)C)CC>BrC=1C=C2CCN(CC2=C(C1)OC)C[C@@H](C)O | 3 |
C(C)(C)(C)O[C@H](C(=O)OCC)C1=C2N3CCC(OCCCC[C@@H](OC=4C=C(C=CC4CN(CC4=NN2C(N=C1C)=C4)C4CC4)C)C)(CC3)C>>C(C)(C)(C)O[C@H](C(=O)O)C1=C2N3CCC(OCCCC[C@@H](OC=4C=C(C=CC4CN(CC4=NN2C(N=C1C)=C4)C4CC4)C)C)(CC3)C | 5 |
Cl[CH2:2][CH2:3][CH2:4][N:5]([C:14]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][CH:17]=[CH:16][N:15]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[CH:12]=[O:13].[CH3:23][NH:24][CH3:25]>>[CH3:23][N:24]([CH3:25])[CH2:2][CH2:3][CH2:4][N:5]([C:14]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][CH:17]=[CH:16][N:15]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:13] | 1 |
FC=1C=C2CC(NC2=CC1)=O.C(C)NCCN1C(C2=C(CCC1)NC(=C2C)C=O)=O>>C(C)NCCN1C(C2=C(CCC1)NC(=C2C)C=C2C(NC1=CC=C(C=C21)F)=O)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:17]=[CH:18][CH:19]=1)[O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([CH3:15])[N:10]=[C:9]2I.C([Mg]Cl)(C)C.[CH2:25]([Sn:29]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:31][CH2:32][CH2:33][CH3:34])Cl)[CH2:26][CH2:27][CH3:28]>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:17]=[CH:18][CH:19]=1)[O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([CH3:15])[N:10]=[C:9]2[Sn:29]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:25][CH2:26][CH2:27][CH3:28] | 1 |
OCCOC1CN(C1)C(=O)OC(C)(C)C>ClCCl.CCCCCC.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>O=CCOC1CN(C1)C(=O)OC(C)(C)C | 3 |
CC=1C=2N(C=C(C1)OC[C@H](C)C1=CC=CC=C1)N=C(N2)C(CN2C(NC1(CNC1)C2)=O)C.OC1=NC=CC(=C1)OS(=O)(=O)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>OC1=NC=CC(=C1)N1CC2(C1)NC(N(C2)CC(C)C2=NN1C(C(=CC(=C1)OC[C@H](C)C1=CC=CC=C1)C)=N2)=O | 3 |
[OH-].[Na+].[Cl:3][C:4]1[CH:5]=[C:6]([OH:11])[CH:7]=[CH:8][C:9]=1[F:10].[C:12]1(=[O:17])[O:16][CH:14]([CH3:15])[CH2:13]1.Cl>O>[Cl:3][C:4]1[CH:5]=[C:6]([CH:7]=[CH:8][C:9]=1[F:10])[O:11][CH:14]([CH3:15])[CH2:13][C:12]([OH:17])=[O:16] | 1 |
C(C)(C)C1=CC(=NC=C1)C#N>>C(C)(C)C1=CC(=NC=C1)CO | 5 |
NC1=CC=C(C(=O)OC)C=C1.C(C1=CC=CC=C1)OC1=C(C=CC=C1)C(CCC(C)=O)=O>>COC(C1=CC=C(C=C1)N1C(=CC=C1C)C1=C(C=CC=C1)OCC1=CC=CC=C1)=O | 5 |
[Cl:1][C:2]1[CH:9]=[C:8]([NH:10][CH2:11][CH:12]2[CH2:14][CH2:13]2)[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].Br[CH:16]([CH3:24])[C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18]>>[Cl:1][C:2]1[CH:9]=[C:8]([N:10]([CH2:11][CH:12]2[CH2:14][CH2:13]2)[C@H:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH3:24])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
ClC1=C(C=CC(=C1)NC1=NC=2N(C(=C1)NC1CC1)N=CC2)O>>ClC=1C=C(C=CC1O)NC1=NC=2N(C(=C1)NC1CC1)N=CC2C=O | 5 |
[N:1]1([C:7]2[CH:8]=[CH:9][C:10]3[N:11]([C:13]([C:16]([F:19])([F:18])[F:17])=[N:14][N:15]=3)[N:12]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[C:20]([C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][CH:29]=1)[CH:25]=O)#[CH:21]>>[C:20]([C:22]1[CH:23]=[C:24]([CH2:25][N:4]2[CH2:3][CH2:2][N:1]([C:7]3[CH:8]=[CH:9][C:10]4[N:11]([C:13]([C:16]([F:17])([F:18])[F:19])=[N:14][N:15]=4)[N:12]=3)[CH2:6][CH2:5]2)[CH:27]=[CH:28][CH:29]=1)#[CH:21] | 1 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:21])[N:7]([CH3:20])[C:8]([CH2:12][N:13]3[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]3)=[N:9]2)=[CH:4][C:3]=1[CH2:22][N:23]([C:27]1[CH:39]=[CH:38][C:30]([C:31](OC(C)(C)C)=[O:32])=[CH:29][CH:28]=1)[CH2:24][C:25]#[CH:26].[NH2:40][CH2:41][CH2:42][CH2:43][N:44]1[CH:48]=[CH:47][N:46]=[CH:45]1.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.Cl.[OH-].[Na+]>ClCCl.FC(F)(F)C(O)=O.CN(C=O)C.O>[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:21])[N:7]([CH3:20])[C:8]([CH2:12][N:13]3[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]3)=[N:9]2)=[CH:4][C:3]=1[CH2:22][N:23]([C:27]1[CH:28]=[CH:29][C:30]([C:31]([NH:40][CH2:41][CH2:42][CH2:43][N:44]2[CH:48]=[CH:47][N:46]=[CH:45]2)=[O:32])=[CH:38][CH:39]=1)[CH2:24][C:25]#[CH:26] | 1 |
ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)O.NCCC=1C=C(C=CC1)[Si](O)(C)C>>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)NCCC2=CC(=CC=C2)[Si](C)(C)O | 5 |
CC(CC)N.NC=1C=CC(=C(C1)CC(=O)O)S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O>N(C)(C)C=O.O.CO[H].CCN(CC)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>NC=1C=CC(=C(C1)CC(=O)NC(C)CC)S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O | 3 |
Br[C:2]1[S:3][CH:4]=[CH:5][N:6]=1.[NH:7]1[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]1>C(O)CCC>[N:7]1([C:2]2[S:3][CH:4]=[CH:5][N:6]=2)[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]1 | 1 |
C[O:2][CH:3](OC)[CH2:4][C:5]1[N:10]=[C:9]2[CH2:11][O:12][C:13](=[C:14]3[C:22]4[C:17](=[CH:18][CH:19]=[C:20]([F:23])[CH:21]=4)[NH:16][C:15]3=[O:24])[C:8]2=[CH:7][CH:6]=1.S(=O)(=O)(O)O>C1COCC1>[F:23][C:20]1[CH:21]=[C:22]2[C:17](=[CH:18][CH:19]=1)[NH:16][C:15](=[O:24])[C:14]2=[C:13]1[C:8]2[C:9](=[N:10][C:5]([CH2:4][CH:3]=[O:2])=[CH:6][CH:7]=2)[CH2:11][O:12]1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.N1=C2C(=NC=C1)NC=C2>CO[H].C(C)(=O)OCC.[OH-].[K+]>N1=C2C(=NC=C1)NC=C2C=2CCN(CC2)C(=O)OC(C)(C)C | 3 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]2([CH2:19][N:20]3[CH:24]=[CH:23][N:22]=[CH:21]3)[O:14][CH:13]([CH2:15][CH:16]([CH3:18])C)[CH2:12][O:11]2)=[CH:4][CH:3]=1.ClC1C=C[C:29]([CH2:32][CH2:33][C:34](=[O:41])CN2C=CN=C2)=CC=1.[CH2:42](O)CO>>[CH2:34]([O:41][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH2:9][C:10]2([CH2:19][N:20]3[CH:24]=[CH:23][N:22]=[CH:21]3)[O:14][CH:13]([CH2:15][CH2:16][CH2:18][CH3:42])[CH2:12][O:11]2)=[CH:6][CH:7]=1)[CH2:33][CH2:32][CH3:29] | 1 |
C1(=CC=CC=C1)[Mg]Br.C(=O)(OC(C)(C)C)N1CC(C1)=O>C1CCCO1>OC1(CN(C1)C(=O)OC(C)(C)C)C1=CC=CC=C1 | 3 |
NCC=1C(=C(C(=CC1)Cl)OC=1C=C(C#N)C=C(C1)Cl)F.ClC1=C2C=C(NC2=CC(=C1)Cl)C(=O)Cl>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=C2C=C(NC2=CC(=C1)Cl)C(=O)NCC1=C(C(=C(C=C1)Cl)OC1=CC(=CC(=C1)C#N)Cl)F | 3 |
CN.CC1=NN(C(=C1)C)CC(=O)N1CCN(CC1)C1=C(C=CC=C1)C=1C=NC(=NC1)S(=O)(=O)C>C(C)(C)O.C(C)(C)N(C(C)C)CC>CC1=NN(C(=C1)C)CC(=O)N1CCN(CC1)C1=C(C=CC=C1)C=1C=NC(=NC1)NC | 3 |
C(OCC)(OCC)(OCC)C.C(C1=CC=CC=C1)OC(=O)N1[C@H](CN(CC1)C1=NC(=NC(=C1N)C(NC1=CC=CC2=CC=CC(=C12)C1CC1)=O)OC[C@H]1N(CCC1)C)CC#N>C(C)(=O)O.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)OC[C@H]1N(CCC1)C)C(N(C(=N2)C)C2=CC=CC1=CC=CC=C21)=O)CC#N | 3 |
[CH:1]1([C:4]2[CH:30]=[CH:29][C:7]([CH2:8][O:9][C:10]3[CH:15]=[CH:14][C:13]([CH:16]4[CH2:19][N:18](C(OC(C)(C)C)=O)[CH2:17]4)=[CH:12][C:11]=3[O:27][CH3:28])=[CH:6][CH:5]=2)[CH2:3][CH2:2]1.[ClH:31].C(OCC)(=O)C>C(OCC)(=O)C>[ClH:31].[CH:1]1([C:4]2[CH:30]=[CH:29][C:7]([CH2:8][O:9][C:10]3[CH:15]=[CH:14][C:13]([CH:16]4[CH2:19][NH:18][CH2:17]4)=[CH:12][C:11]=3[O:27][CH3:28])=[CH:6][CH:5]=2)[CH2:2][CH2:3]1 | 1 |
CSC=1N=CC=2C(N(C[C@H]3N(C2N1)CCC3)C=3C=CC=C1C=CC=NC31)=O>>C(C)NC=1N=CC=2C(N(C[C@H]3N(C2N1)CCC3)C=3C=CC=C1C=CC=NC31)=O | 5 |
C[O:2][C:3]([C:5]1[CH:6]=[C:7]([C:12]2[CH:17]=[CH:16][C:15]([CH:18]([CH3:38])[C:19]([C:25]3[CH:26]=[CH:27][C:28]4[O:33][CH2:32][C:31](=[O:34])[N:30]([CH2:35][CH3:36])[C:29]=4[CH:37]=3)([OH:24])[C:20]([F:23])([F:22])[F:21])=[C:14]([Cl:39])[CH:13]=2)[CH:8]=[CH:9][C:10]=1[Cl:11])=[O:4]>CCCCCCC>[Cl:11][C:10]1[CH:9]=[CH:8][C:7]([C:12]2[CH:17]=[CH:16][C:15]([CH:18]([CH3:38])[C:19]([C:25]3[CH:26]=[CH:27][C:28]4[O:33][CH2:32][C:31](=[O:34])[N:30]([CH2:35][CH3:36])[C:29]=4[CH:37]=3)([OH:24])[C:20]([F:22])([F:21])[F:23])=[C:14]([Cl:39])[CH:13]=2)=[CH:6][C:5]=1[C:3]([OH:4])=[O:2] | 1 |
Cl.[N+](=O)([O-])C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)N.ClC=1C=2N(C=C(C1)C(F)(F)F)N=C(N2)C=2CCN(CC2)C(=O)OC(C)(C)C>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C(=O)([O-])[O-].[Cs+].[Cs+]>[N+](=O)([O-])C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)NC=1C=2N(C=C(C1)C(F)(F)F)N=C(N2)C=2CCN(CC2)C(=O)OC(C)(C)C | 3 |
CC1=C(O)C=CC(=C1)O.CC(CCCC(=O)OC)=C>C(C)OCC.C1(=CC=C(C=C1)S(=O)(=O)O)C>OC1=C(C=C(C(=C1)C)O)C(CC=CC(=O)OC)(C)C | 3 |
C(C)OC(CCNC)=O.C1(CCC1)C(C1=C(OC(=C1)C1=CC=CC=C1)C)NC1=CC=C(C(=O)O)C=C1>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>C1(CCC1)C(C1=C(OC(=C1)C1=CC=CC=C1)C)NC1=CC=C(C=C1)C(=O)N(CCC(=O)O)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:10]([N:12]2[C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=3[O:15][CH2:14][CH2:13]2)=[O:11])[CH:5]=[C:6]([Cl:9])[C:7]=1[OH:8].[C:22](=O)([O-])[O-].[K+].[K+].IC>CC(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]([C:10]([N:12]2[C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=3[O:15][CH2:14][CH2:13]2)=[O:11])[CH:5]=[C:6]([Cl:9])[C:7]=1[O:8][CH3:22] | 2 |
C(#N)C1=CC(=C(C=C1)NC(C/N=C/CC(C)(C)C)=O)OC.BrC=1C(=C(\C=C\2/C(NC=3C2=NC=C(C3)Cl)=O)C=CC1)F>C1CCCO1.[OH-].[Li+]>BrC=1C(=C(C=CC1)C1C(NC(C12C(NC=1C2=NC=C(C1)Cl)=O)CC(C)(C)C)C(=O)NC1=C(C=C(C=C1)C#N)OC)F | 3 |
[Br:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=1)=[O:8].Cl.[CH3:24][C:25]1([OH:30])[CH2:29][CH2:28][NH:27][CH2:26]1>>[Br:1][C:2]1[C:3]([N:27]2[CH2:28][CH2:29][C:25]([OH:30])([CH3:24])[CH2:26]2)=[N:4][CH:5]=[C:6]([CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=1)=[O:8] | 1 |
BrC1=C(C=O)C=CC(=C1)OCCCBr>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+]>BrCCCOC1=CC(=C(C=O)C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
OC1=CC=C(C(=O)NC2=NC=CC(=C2)C(F)(F)F)C=C1.BrC1=NN(C2=NC=CC(=C21)Cl)CC2=CC=C(C=C2)OC>>BrC1=NN(C2=NC=CC(=C21)OC2=CC=C(C(=O)NC1=NC=CC(=C1)C(F)(F)F)C=C2)CC2=CC=C(C=C2)OC | 5 |
S(Cl)(Cl)=O.[CH2:5]([O:12][CH2:13][CH:14]([NH:31][C:32](=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36][NH:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][N:39]=1)[C:15]([NH:17][CH:18]([C:23]1[CH:28]=[C:27]([Cl:29])[CH:26]=[C:25]([Br:30])[CH:24]=1)[CH2:19][C:20]([OH:22])=[O:21])=[O:16])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[CH3:45]O>>[CH2:5]([O:12][CH2:13][CH:14]([NH:31][C:32](=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36][NH:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][N:39]=1)[C:15]([NH:17][CH:18]([C:23]1[CH:28]=[C:27]([Cl:29])[CH:26]=[C:25]([Br:30])[CH:24]=1)[CH2:19][C:20]([O:22][CH3:45])=[O:21])=[O:16])[C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1 | 2 |
CC1=C(CC(C(=O)OC)C(=O)OC)C=CC=C1>CO[H].O(C(C)(C)C)C.N>CC1=C(CC(C(=O)N)C(=O)N)C=CC=C1 | 3 |
BrC1=CC(=NC(=C1)C)C1=NC2(CC1)C(N(CC2)C)=O.CC1(OB(OC1(C)C)C1=C(C#N)C=CC(=C1)C(F)(F)F)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].ClCCl.C([O-])([O-])=O.[Na+].[Na+].COCCOC>CC1=NC(=CC(=C1)C1=C(C#N)C=CC(=C1)C(F)(F)F)C1=NC2(CC1)C(N(CC2)C)=O | 3 |
ClC1=C(C(=NC2=CC(=CC(=C12)F)F)C1=NC=CC(=C1)C)C.O1CCC(=CC1)C=1C=C(C=NC1)N>C1(=CC=CC=C1)C.[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.CC(C)(C)[O-].[Na+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>O1CCC(=CC1)C=1C=C(C=NC1)NC1=C(C(=NC2=CC(=CC(=C12)F)F)C1=NC=CC(=C1)C)C | 3 |
[CH3:1][O:2][C:3]([C@@H:5]([NH:26]C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[CH2:6][N:7]1[C:11](=[O:12])[C:10]2([CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]2)[NH:9][C:8]1=[O:25])=[O:4]>ClCCl.CO.FC(F)(F)C(O)=O>[NH2:26][C@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][N:7]1[C:11](=[O:12])[C:10]2([CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]2)[NH:9][C:8]1=[O:25] | 1 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([O:9][CH2:10][CH3:11])=[O:8].[NH2:12][C:13]1[CH:25]=[CH:24][C:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[CH:15][CH:14]=1.C(N(CC)C(C)C)(C)C.[I-].[K+].C(=O)([O-])O.[Na+]>CN(C)C=O>[CH2:10]([O:9][C:7](=[O:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:12][C:13]1[CH:25]=[CH:24][C:16]([C:17]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:18])=[CH:15][CH:14]=1)[CH3:11] | 1 |
[CH:1]([N:14]1[CH2:19][CH2:18][N:17](CC2OC(=O)N(CC3C=CC(F)=CC=3)C2)[CH2:16][CH2:15]1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC1C=CC(S(O[CH2:46][CH:47]2[O:51][C:50](=[O:52])[N:49]([CH2:53][CH2:54][N:55]3[CH2:60][CH2:59][O:58][CH2:57][CH2:56]3)[CH2:48]2)(=O)=O)=CC=1.CC1C=CC(S(OCC2OC(=O)N(CC3C=CC(F)=CC=3)C2)(=O)=O)=CC=1>>[CH:1]([N:14]1[CH2:19][CH2:18][N:17]([CH2:46][CH:47]2[O:51][C:50](=[O:52])[N:49]([CH2:53][CH2:54][N:55]3[CH2:56][CH2:57][O:58][CH2:59][CH2:60]3)[CH2:48]2)[CH2:16][CH2:15]1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=[O:24])[C:17]1[CH:22]=[CH:21][C:20](Br)=[N:19][CH:18]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][CH:26]=1.C(=O)([O-])[O-].[Na+].[Na+].C(COC)OC>[Cl-].[Na+].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:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=[O:24])[C:17]1[CH:22]=[CH:21][C:20]([C:28]2[CH:29]=[CH:30][N:25]=[CH:26][CH:27]=2)=[N:19][CH:18]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 2 |
NC1=C(C(=O)N[C@H]2CCOC[C@@H]2O)C=C(C(=C1Cl)C)Br>COC(N(C)C)OC>BrC=1C=C2C(N(C=NC2=C(C1C)Cl)[C@H]1CCOC[C@@H]1O)=O | 3 |
ClC1=CC=C(C=O)C=C1>CCN(CC)CC.CC(=O)C.Cl(=O)(=O)(=O)[O-].[Li+]>ClC1=CC=C(C=C1)\C=C\C(\C=C\C1=CC=C(C=C1)Cl)=O | 3 |
O=C1NC(CC[C@@H]1C1=CC=C(C=N1)N1CCC(CC1)CN1CCN(CC1)C(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>N1(CCNCC1)CC1CCN(CC1)C=1C=CC(=NC1)C1C(NC(CC1)=O)=O | 3 |
N(C1C=CC(C[CH:9]2[CH2:20][N:19]([CH2:21][C:22]([OH:24])=[O:23])[CH2:18][CH2:17][N:16]([CH2:25][C:26]([OH:28])=[O:27])[CH2:15][CH2:14][N:13]([CH2:29][C:30]([OH:32])=[O:31])[CH2:12][CH2:11][N:10]2[CH2:33][C:34]([OH:36])=[O:35])=CC=1)=C=S.[N-]=C=S>>[CH2:9]1[N:10]([CH2:33][C:34]([OH:36])=[O:35])[CH2:11][CH2:12][N:13]([CH2:29][C:30]([OH:32])=[O:31])[CH2:14][CH2:15][N:16]([CH2:25][C:26]([OH:28])=[O:27])[CH2:17][CH2:18][N:19]([CH2:21][C:22]([OH:24])=[O:23])[CH2:20]1 | 1 |
[CH2:1]([C:3]1[N:7]([CH3:8])[C:6]2[CH:9]=[C:10]([N:13]3[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][C:14]3=[O:20])[CH:11]=[CH:12][C:5]=2[N:4]=1)[CH3:2].[F:21][C:22]([F:31])([F:30])[C:23]1[S:27][C:26]([CH2:28]O)=[CH:25][CH:24]=1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>C1COCC1.O>[CH2:1]([C:3]1[N:7]([CH3:8])[C:6]2[CH:9]=[C:10]([N:13]3[CH:18]=[CH:17][C:16]([O:19][CH2:28][C:26]4[S:27][C:23]([C:22]([F:31])([F:30])[F:21])=[CH:24][CH:25]=4)=[CH:15][C:14]3=[O:20])[CH:11]=[CH:12][C:5]=2[N:4]=1)[CH3:2] | 1 |
C(C)(=O)NN.BrC1=C(C=2CCC(NC2C=C1)=S)C#N>C(CCC)O>BrC1=C(C=2CCC=3N(C2C=C1)C(=NN3)C)C#N | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C@H:9]2[CH2:13][CH2:12][CH2:11][C@H:10]2[N:14]2C(=O)C3C(=CC=CC=3)C2=O)[CH:6]=[CH:7][CH:8]=1.NN>C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C@H:9]2[CH2:13][CH2:12][CH2:11][C@H:10]2[NH2:14])[CH:6]=[CH:7][CH:8]=1 | 1 |
[NH2:1][N:2]=[CH:3][NH:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=[O:10])=[CH:7][CH:6]=1.CS([O-])(=O)=O.[ClH:19].[C:20]([C:23]1[CH:24]=[C:25]2[C:30](=[CH:31][CH:32]=1)[C:29]([CH:33]=[CH:34][C:35](=[O:37])[NH2:36])=[C:28](O)[CH:27]=[CH:26]2)(=[NH:22])[NH2:21].C1CCC(N=C=NC2CCCCC2)CC1>CN(C1C=CN=CC=1)C.N1C=CC=CC=1>[ClH:19].[ClH:19].[NH2:1][N:2]=[CH:3][NH:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([O:11][C:28]2[CH:27]=[CH:26][C:25]3[C:30](=[CH:31][CH:32]=[C:23]([C:20](=[NH:21])[NH2:22])[CH:24]=3)[C:29]=2[CH:33]=[CH:34][C:35](=[O:37])[NH2:36])=[O:10])=[CH:7][CH:6]=1 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.