Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C1(CC1)C(=O)NN.BrC=1C2=C(N(C(CC1C(=O)O)=O)C(C)C1=CC(=C(C=C1)C)F)C=CC=C2>ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>BrC=1C2=C(N(C(CC1C(=O)NNC(=O)C1CC1)=O)C(C)C1=CC(=C(C=C1)C)F)C=CC=C2
3
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.CC=1C(=C(SC1C)N)C1=NC(=NO1)C(F)(F)F>C1CCCO1>N(=C=O)C=1SC(=C(C1C1=NC(=NO1)C(F)(F)F)C)C
3
C(OC([N:8]1[CH2:13][CH2:12][CH2:11][C@@H:10]([N:14]2[C:22](=[O:23])[N:21](COCC[Si](C)(C)C)[C:20]3[C:15]2=[N:16][C:17]([C:32]2[N:36]4[CH:37]=[C:38]([F:41])[CH:39]=[CH:40][C:35]4=[N:34][CH:33]=2)=[N:18][CH:19]=3)[CH2:9]1)=O)(C)(C)C.O.C(=O)([O-])O.[Na+]>FC(F)(F)C(O)=O>[F:41][C:38]1[CH:39]=[CH:40][C:35]2[N:36]([C:32]([C:17...
2
BrC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34.[Si](Cl)(Cl)(Cl)Cl>>Cl[Si](C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34)(Cl)Cl
5
N1C=CC2=NC(=CC=C21)C(=O)OC.C(C)(C)(C)OC(=O)N1[C@@H]([C@@H](C1)OS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(=O)N1[C@@H]([C@H](C1)N1C=CC2=NC(=CC=C21)C(=O)OC)C
3
BrCC(=O)OCC.FC(C1=NNC=C1C(=O)NC1CCC(CC1)=CC1=CC(=CC=C1)OC1=NC=C(C=C1)C(F)(F)F)(F)F>>FC(C1=NN(C=C1C(NC1CCC(CC1)=CC1=CC(=CC=C1)OC1=NC=C(C=C1)C(F)(F)F)=O)CC(=O)OCC)(F)F
5
[F:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([C:12]([OH:14])=O)=[CH:4][CH:3]=1.C(Cl)(=O)C(Cl)=O.Cl.[OH:22][CH:23]([C:37]1[C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[CH:40]=[CH:39][CH:38]=1)[CH:24]([NH2:36])[CH2:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][CH:27]=1.C(=O)([O-])...
1
C(O[C:6]([NH:8][C@@H:9]([CH2:13][C:14]([CH3:17])([CH3:16])[CH3:15])[C:10]([OH:12])=O)=[O:7])(C)(C)C.C(OC(NC(C(C)(C)C)C(O)=O)=O)(C)(C)C.[NH2:34][C@H:35]1[C:43]2[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=2)[CH2:37][C@H:36]1[OH:44].C(OC(=O)NC(C(=O)NC1C2C(=CC=CC=2)CC1O)C(C)(C)C)(C)(C)C.ClNC(=O)[O-].C([O:78][C:79]([C:81]1([NH:86...
1
C(C)N1N=CC(=C1)NC1=NC(=NC=C1[N+](=O)[O-])NC=1C=NN(C1)C1CCOCC1>>C(C)N1N=CC(=C1)NC1=NC(=NC=C1N)NC=1C=NN(C1)C1CCOCC1
5
[CH:1]1([CH2:6][CH:7]([C:18]2[NH:28][C:21]3=[N:22][CH:23]=[C:24]([CH:26]=[O:27])[CH:25]=[C:20]3[CH:19]=2)[C:8]2[CH:13]=[CH:12][C:11]([S:14]([CH3:17])(=[O:16])=[O:15])=[CH:10][CH:9]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[BH4-].[Na+]>CO>[CH:1]1([CH2:6][CH:7]([C:18]2[NH:28][C:21]3=[N:22][CH:23]=[C:24]([CH2:26][OH:27])[CH:25]=[C...
1
CC(CC1(C=CCC=C1)C1=CC=CC=C1)NCC>C([O-])(O)=O.[K+].c1ccncc1.C(C)(=O)OC(C)=O>C(C)N(C(C)=O)C(CC1(C=CCC=C1)C1=CC=CC=C1)C
3
C(C)OC(CC(=O)C)=O.Cl.FC1=C(C=CC=C1)NN>O.ClCCl.C(C)(=O)O>FC1=C(C=CC=C1)N1NC(=CC1=O)C
3
COC1=C(OC2CCC3(CNC3)CC2)C=C(C=C1)[N+](=O)[O-]>O.CO[H].C=O.C(#N)[BH3-].[Na+]>COC1=C(OC2CCC3(CN(C3)C)CC2)C=C(C=C1)[N+](=O)[O-]
3
C=O.[C:3](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[C:28]3[CH2:29][N:30]([S:33]([CH3:36])(=[O:35])=[O:34])[CH2:31][CH2:32][C:27]=3[N:26]([CH2:37][CH2:38][CH2:39][N:40]3[CH2:45][CH2:44][N:43]([C:46]4[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=4)[CH2:42][CH2:41]3)[N:25]=2)=[CH:20][C:19]=1[C...
2
[CH3:1][N:2]1[C:10]2[C@@:9]3([CH3:14])[C:11]([CH3:13])([CH3:12])[C@H:6]([CH2:7][CH2:8]3)[C:5]=2[C:4](=[O:15])[NH:3]1.Br[CH2:17][C:18]1[CH:27]=[CH:26][C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:20][CH:19]=1>CN(C)C=O>[CH3:25][O:24][C:22](=[O:23])[C:21]1[CH:26]=[CH:27][C:18]([CH2:17][N:3]2[C:4](=[O:15])[C:5]3[C@@H:6]4[C:11]...
1
C(C)(C)OC(=O)C1(CC(C1)(F)F)C(=O)OC(C)C>>FC1(CC(C1)(C(=O)O)C(=O)O)F
5
[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].[CH3:18][O:19][C:20]1[CH:21]=[C:22]([CH:27]=[CH:28][CH:29]=1)[C:23](OC)=[O:24].[Cl-].[NH4+]>O1CCCC1>[CH3:18][O:19][C:20]1[CH:21]=[C:22]([C:23](=[O:24])[CH2:1][C:2]2[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=2)[CH:27]=[CH:28][CH:29]=1
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]([OH:14])[CH2:12][N:11]([C:15]3[N:20]=[CH:19][N:18]([CH2:21][C:22]4[S:23][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:25][CH:26]=4)[C:17](=[O:31])[N:16]=3)[CH2:10][CH:9]=2)=[CH:4][CH:3]=1.C(=O)(O)[O-].[Na+].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>ClCCl>[F:1][C:2]1[CH:3]=[CH:...
1
CC(C(=O)O)(C)C.NC1=CC=C(CN)C=C1>>NC1=CC=C(CNC(C(C)(C)C)=O)C=C1
5
C(C=C)Br.COC1=CC=C(C=O)C=C1>O.[Sn]>COC1=CC=C(C=C1)C(CC=C)O
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH:13]([CH3:15])[CH3:14])=[C:11]([N:16]3[CH2:20][CH2:19][CH:18]([N:21]4[C:25]5=[N:26][CH:27]=[CH:28][CH:29]=[C:24]5[C:23]([C:30]#[N:31])=[N:22]4)[C:17]3=[O:32])[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[CH2:33](N)[CH2:34][NH2:35]>CC(O)=O.CCO>[NH:31]1[CH2:33][CH2:34][N:35]=[C:30]1[C:23]1...
1
Br[C:2]1[C:3]([CH3:13])=[C:4]([C:8]([O:10][CH2:11][CH3:12])=[O:9])[NH:5][C:6]=1[CH3:7].[F:14][C:15]([F:26])([F:25])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1B(O)O.C(=O)([O-])[O-].[Na+].[Na+]>CN(C=O)C.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)...
1
Br[C:2]1[CH:10]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:8]=[C:7]2[C:3]=1[CH:4]=[N:5][NH:6]2.[C:15]1(B(O)O)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[C:24](=[O:27])([O-])[O-:25].[Na+].[Na+]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O1CCOCC1>[C:24]([OH:25])([C:11]([F:14]...
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.[F:16][C:17]1[CH:18]=[C:19]([N:24]2[C:28](=[O:29])[CH2:27][CH:26]([NH:30][C:31](=[O:38])[C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)[CH2:25]2)[CH:20]=[CH:21][C:22]=1[OH:23]>CN(C1C=CN=CC=1)C.O1CCOCC1.CCOC(C)=O>[CH3:1...
1
C(=O)(OC(C)(C)C)N1C[C@H](CC1)N.ClC1=NC=C(C=N1)Cl>O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>ClC=1C=NC(=NC1)N[C@@H]1CN(CC1)C(=O)OC(C)(C)C
3
NO.C(#N)C=1C=CC(=C(C1)NC(OC(C)(C)C)=O)C>>O\N=C(/N)\C=1C=CC(=C(C1)NC(OC(C)(C)C)=O)C
5
C(C)(=O)N1CCN(C(CC1)C=1SC=C(N1)Br)C(=O)OC(C)(C)C>ClCCl.Cl>BrC=1N=C(SC1)C1NCCN(CC1)C(C)=O
3
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[N:16]([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=3)[N:15]=[C:14]([C:23](O)=[O:24])[CH:13]=2)[CH:5]=[C:6]([O:8][CH:9]([F:11])[F:10])[CH:7]=1.[S:26]1[CH2:30][CH2:29][NH:28][CH2:27]1>>[Cl:1][C:2]1[CH:3]=[C:4]([C:12]2[N:16]([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=3)[N:15]=[C:14]([C:23]...
1
O(C1=CC=CC=C1)C1=CC=C(C=C1)B(O)O.IC1=NC(=CC=C1OC1=CC=NC2=CC(=C(C=C12)OC)OC)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>COC=1C=C2C(=CC=NC2=CC1OC)OC=1C(=NC(=CC1)C)C1=CC=C(C=C1)OC1=CC=CC=C1
3
[Br:1][C:2]1[CH:23]=[CH:22][C:5]2[N:6]([CH2:9][C:10]3[CH:21]=[CH:20][C:13]4[N:14]=[C:15](S(C)=O)[S:16][C:12]=4[CH:11]=3)[CH:7]=[N:8][C:4]=2[CH:3]=1.[NH2:24][C@@H:25]1[CH2:30][CH2:29][CH2:28][CH2:27][C@H:26]1[OH:31].CCN(C(C)C)C(C)C.O>CC(N(C)C)=O>[Br:1][C:2]1[CH:23]=[CH:22][C:5]2[N:6]([CH2:9][C:10]3[CH:21]=[CH:20][C:13]4...
1
[CH:1]1([CH2:7][O:8][C:9]2[CH:10]=[C:11]([CH2:15][CH:16](O)[CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])[CH:12]=[CH:13][CH:14]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CCN(S(F)(F)[F:33])CC>>[CH:1]1([CH2:7][O:8][C:9]2[CH:10]=[C:11]([CH2:15][CH:16]([F:33])[CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]...
1
[Li+].C[Si]([N-][Si](C)(C)C)(C)C.Cl[C:12]1[CH:13]=[C:14]2[C:19](=[CH:20][CH:21]=1)[CH:18]=[C:17]1[CH2:22][CH2:23][CH2:24][C:16]1=[C:15]2[C:25](=[O:27])[CH3:26].[CH3:28][NH:29][CH3:30]>C1COCC1>[CH3:28][N:29]([CH3:30])[C:12]1[CH:13]=[C:14]2[C:19](=[CH:20][CH:21]=1)[CH:18]=[C:17]1[CH2:22][CH2:23][CH2:24][C:16]1=[C:15]2[C:...
1
[Mg].Br[C:3]1[CH:8]=[CH:7][C:6]([C:9]([F:12])([F:11])[F:10])=[CH:5][CH:4]=1.Cl[P:14]1(=[O:19])[CH2:18][CH:17]=[CH:16][CH2:15]1>>[F:10][C:9]([F:12])([F:11])[C:6]1[CH:7]=[CH:8][C:3]([P:14]2(=[O:19])[CH2:18][CH:17]=[CH:16][CH2:15]2)=[CH:4][CH:5]=1
2
OC(=O)C(F)(F)F.O1CCC12NCCC2.COC=1C=C(C=O)C=CC1OC1CN(C1)C(=O)C=1OC(=NN1)C1=CC=CC=C1>>C1OCC12N(CCC2)CC2=CC(=C(OC1CN(C1)C(=O)C=1OC(=NN1)C1=CC=CC=C1)C=C2)OC
5
[Cl:1][C:2]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:3]=1[CH2:4][NH:5][C:6]([C:8]1[C:9]([O:16][CH2:17][CH3:18])=[N:10][N:11]([CH2:13][CH2:14][OH:15])[CH:12]=1)=[O:7].O[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[CH2:31][C:32]([O:34]C)=[O:33].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[Cl:1][C:2]1[CH:22]...
2
COC(Cl)Cl.C(C)C(COC1=CC=C(C=C1)OCC(CCCC)CC)CCCC>ClCCl.[Sn](Cl)(Cl)(Cl)Cl>C(C)C(COC1=C(C=O)C=C(C=C1)OCC(CCCC)CC)CCCC
3
C1NCCC2=C1NC1=CC=CC=C21.FC(C=1C=C(C=CC1)N=C=O)(F)F>N(C)(C)C=O.ClCCl>FC(C=1C=C(C=CC1)NC(=O)N1CC=2NC3=CC=CC=C3C2CC1)(F)F
3
[NH2:1][C@@H:2]1[CH2:7][CH2:6][CH2:5][CH2:4][C@H:3]1[CH2:8][NH:9][C:10]1[C:15]([F:16])=[CH:14][N:13]=[C:12]([C:17]2[C:25]3[C:20](=[N:21][CH:22]=[C:23]([Cl:26])[CH:24]=3)[N:19](S(C3C=CC(C)=CC=3)(=O)=O)[CH:18]=2)[N:11]=1.CCN(C(C)C)C(C)C.[CH3:46][O:47][CH2:48][C:49](Cl)=[O:50]>C(Cl)Cl>[Cl:26][C:23]1[CH:24]=[C:25]2[C:17]([...
1
ClC1=CC(=CC=2N=C(OC21)C=2C(=C(C=CC2)C2=C(C(=CC=C2)N2CCC(CC2)NC)Cl)C)CO>ClCCl.[O-2].[O-2].[Mn+4]>ClC1=CC(=CC=2N=C(OC21)C=2C(=C(C=CC2)C2=C(C(=CC=C2)N2CCC(CC2)NC)Cl)C)C=O
3
C(C1=CC=CC=C1)OC1=C(C(=O)O)C(=C(C(=N1)C=1C=C2C(=CN(C2=CC1)C)C#N)CC)OCC1=CC=CC=C1>>C(#N)C1=CN(C2=CC=C(C=C12)C1=C(C(=C(C(N1)=O)C(=O)O)O)CC)C
5
Cl.[NH2:2][OH:3].C([O-])(O)=O.[Na+].[O:9]1[C:13]2[CH:14]=[CH:15][C:16]([CH2:18][NH:19][S:20]([C:23]3[CH:24]=[C:25]([CH:29]=[CH:30][C:31](Cl)=[O:32])[CH:26]=[CH:27][CH:28]=3)(=[O:22])=[O:21])=[CH:17][C:12]=2[O:11][CH2:10]1>O1CCCC1>[O:9]1[C:13]2[CH:14]=[CH:15][C:16]([CH2:18][NH:19][S:20]([C:23]3[CH:24]=[C:25]([CH:29]=[CH...
1
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.[CH2:9]([C:11](=O)[C:12]([O-:14])=[O:13])[CH3:10].[F:16][C:17]1[CH:24]=[CH:23][C:20](C=C)=[CH:19][CH:18]=1.F[C:26](F)(F)[C:27](O)=O>C(#N)C>[CH2:26]([O:14][C:12]([CH:11]1[CH2:9][CH:10]([C:20]2[CH:23]=[CH:24][C:17]([F:16])=[CH:18][CH:19]=2)[C:7]2[C:5](=[CH:4][CH:3]=[...
1
C(OC([N:8]1[CH2:13][CH2:12][C:11](=[CH:14][C:15]2[O:16][C:17]([C:20]3[S:21][CH:22]=[CH:23][CH:24]=3)=[N:18][N:19]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.FC(F)(F)C(O)=O>>[S:21]1[CH:22]=[CH:23][CH:24]=[C:20]1[C:17]1[O:16][C:15]([CH:14]=[C:11]2[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]2)=[N:19][N:18]=1
2
OC(/C=C/[C@H]1CCC(N1CCCCSC)=O)CC1=CC=CC=C1.C(Cl)Cl.CO.O>S(=O)(=O)(O[O-])[O-].[K+].[K+].S([O-])(O)=O.[Na+]>OC(/C=C/[C@H]1CCC(N1CCCCS(=O)(=O)C)=O)CC1=CC=CC=C1
3
CN(C=O)C.[H-].[Na+].[CH:8]([C:10]1[CH:17]=[CH:16][C:13]([CH2:14][OH:15])=[CH:12][CH:11]=1)=[CH2:9].[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]Br>O>[CH:8]([C:10]1[CH:17]=[CH:16][C:13]([CH2:14][O:15][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][Br:18])=[CH:12][CH:11]=1)=[CH2:9]
1
FC1=C(C#N)C=CC=N1>>Cl.FC1=NC=CC=C1CN
5
N1=CN(C2=NC=CC=C21)CC2=CC1=C(N=C(S1)N[C@H]1C(CCCC1)=O)C=C2>>N1=CN(C2=NC=CC=C21)CC2=CC1=C(N=C(S1)N[C@H]1C(CCCC1)=NO)C=C2
5
[Si:1]([O:18][CH:19]1[CH2:22][N:21]([C:23]2[S:24][CH:25]=[C:26]([C:28](OCC)=[O:29])[N:27]=2)[CH2:20]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([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.[CH3:33][N:34]1[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]1.C[Al](C)C.C(O)(=O)C.C(OCC)(=O)C>C1(C)C=...
1
FC(OC=1C=C(C=CC1)O)(F)F>O.[N+](=O)(O)[O-].C(C)(=O)O>[N+](=O)([O-])C1=C(C=C(C=C1)OC(F)(F)F)O
3
FC=1C=C(C=O)C=CC1F.Cl.N[C@@H]1[C@@H]([C@H]2CC[C@@H]1C2)C(=O)OC>>FC=1C=C(CN[C@@H]2[C@@H]([C@H]3CC[C@@H]2C3)C(=O)OC)C=CC1F
5
C=C1CC(O1)=O.C(C)(=O)O[C@@H](CCCCN1C(N(C(=CC1=O)N)C)=O)C>ClCCCl.C1=CC(=CC=C1O)O>C(C)(=O)O[C@@H](CCCCN1C(N(C2=C(C1=O)C(C=C(N2)C)=O)C)=O)C
3
FC1=C(C=CC=C1)B(O)O.BrC1=C(C(=CC=2C3=C(OC21)C=CC(=C3)C#N)F)O>>FC=1C(=C(C2=C(C3=C(O2)C=CC(=C3)C#N)C1)C1=C(C=CC=C1)F)O
5
[C:1]([O:6][CH2:7][CH3:8])(=[O:5])[C:2]#[C:3][CH3:4].C(N(CC)CC)C.[OH:16]/[N:17]=[C:18](\Cl)/[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[F:25]>C(O)C>[CH2:7]([O:6][C:1]([C:2]1[C:18]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[F:25])=[N:17][O:16][C:3]=1[CH3:4])=[O:5])[CH3:8]
1
BrC1=CC2C(CN(C2=O)CC2=CC=C(C=C2)OC)O1>>BrC1=CC2C(CNC2=O)O1
5
P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:2].[Cl:15][C:16]1[CH:17]=[CH:18][C:19]([O:28][CH2:29][CH:30]([CH3:32])[CH3:31])=[C:20]([C:22]([F:27])([F:26])[C:23]([NH2:25])=O)[CH:21]=1>COCCOC.C(OCC)(=O)C>[Cl:15][C:16]1[CH:17]=[CH:18][C:19]([O:28][CH2:29][CH:30]([CH3:32])[CH3:31])=[C:20]([C:22]([F:27])([F:26])[C:23](=[S:2])[NH2:...
2
[C:1]([C:3]1[CH:4]=[C:5]([C:9]2[CH:23]=[C:22]([CH2:24][N:25]([CH3:36])[S:26]([C:29]3[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=3)(=[O:28])=[O:27])[CH:21]=[CH:20][C:10]=2[O:11][CH2:12][C:13]([O:15]C(C)(C)C)=[O:14])[CH:6]=[CH:7][CH:8]=1)#[N:2]>C(O)(C(F)(F)F)=O.C(Cl)Cl>[C:1]([C:3]1[CH:4]=[C:5]([C:9]2[CH:23]=[C:22]([CH2:...
1
C(CC)N(CCCCN1CC2=CC=C(C=C2CC1)CO)CCC>>C(CC)N(CCCCN1CC2=CC=C(C=C2CC1)C=O)CCC
5
[CH2:1]([NH:3][C:4]([NH:6][C:7]1[S:8][C:9]2[C:15](I)=[CH:14][C:13]([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=3)=[CH:12][C:10]=2[N:11]=1)=[O:5])[CH3:2].[CH3:23][N:24]1[CH:28]=[CH:27][CH:26]=[C:25]1[Sn](CCCC)(CCCC)CCCC>CN(C=O)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=C...
1
[CH3:1][O:2][C:3]1[CH:22]=[CH:21][CH:20]=[C:19]([O:23][CH3:24])[C:4]=1[CH2:5][NH:6][C:7]([NH:9][C:10]1[S:11][C:12]2[CH2:13][NH:14][CH2:15][CH2:16][C:17]=2[N:18]=1)=[NH:8].[C:25](Cl)(=[O:27])[CH3:26].C(N(CC)CC)C>C1COCC1>[C:25]([N:14]1[CH2:15][CH2:16][C:17]2[N:18]=[C:10]([NH:9][C:7]([NH:6][CH2:5][C:4]3[C:19]([O:23][CH3:2...
1
CC1=C(O)C=CC(=C1)O.CC1(COC1)COCCCOC1=CC=C(C(=O)O)C=C1>>CC1(COC1)COCCCOC1=CC=C(C(=O)OC2=CC=CC=C2)C=C1
5
C(C1=CC=CC=C1)O.C(C1=CC=CC=C1)OCN1C(N(N=C(C1=O)Br)CC(C1=CC=CC=C1)(F)F)=O>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC=1C(N(C(N(N1)CC(C1=CC=CC=C1)(F)F)=O)COCC1=CC=CC=C1)=O
3
ClC(C(=O)O)CC1=CC=C(C=C1)CCCC>N>C(CCC)C1=CC=C(C[C@H](N)C(=O)O)C=C1
3
OC=1C=NC=CC1.BrCCOC1OCCCC1>N(C)(C)C=O.[H-].[Na+]>O1C(CCCC1)OCCOC=1C=NC=CC1
3
Cl.NC[C@@]1(C(NC(N1)=O)=O)C1CC1.ClC1=C(C(=CC=C1)C1=CC=C(C=C1)C)C(=O)O>>ClC1=C(C(=CC=C1)C1=CC=C(C=C1)C)C(=O)NC[C@]1(NC(NC1=O)=O)C1CC1
5
NC1=NC=C(C2=CC(=CC=C12)F)C(C)=O>O.CO[H].Cl.NO.C(C)(=O)[O-].[Na+]>NC1=NC=C(C2=CC(=CC=C12)F)C(C)=NO
3
C(C)C=1N(C(C=C(N1)C)=O)CCOC1=CC=C(C=C1)CC(C(=O)O)O>O.CCO[H].Cl>C(C)C=1N(C(C=C(N1)C)=O)CCOC1=CC=C(C=C1)CC(C(=O)OCC)O
3
C[O:2][C:3]([C:5]1[O:6][C:7]([CH2:10][C:11]([O:13]C)=[O:12])=[CH:8][CH:9]=1)=[O:4].[OH-].[Na+]>CO>[C:11]([CH2:10][C:7]1[O:6][C:5]([C:3]([OH:4])=[O:2])=[CH:9][CH:8]=1)([OH:13])=[O:12]
1
C(C)(C)(C)OC(=O)N1[C@@H](CNCC1)C.FC1([C@H]2CC=3C(=NN(C3C[C@]21C)C2OCCCC2)C=2NC1=CC(=CC=C1C2)C(=O)O)F>N(C)(C)C=O.O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>FC1([C@H]2CC=3C(=NN(C3C[C@]21C)C2OCCCC2)C=2NC1=CC(=CC=C1C2)C(=O)N2C[C@H](N(CC2)C(=O)OC(C)(C)C)C)F
3
O=C1CN(CC(O1)=O)CCN(CC(=O)O)CCN1CC(OC(C1)=O)=O.C(C)OC(CCCCCCCCCCN)=O>N(C)(C)C=O.CCN(CC)CC>C(=O)(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(NCCCCCCCCCCC(=O)OCC)=O)CC(=O)O
3
[Mg].[CH3:2][C:3]([C:6]1[CH:11]=[C:10]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:9]=[CH:8][C:7]=1Br)([CH3:5])[CH3:4].[CH2:17]1[O:19][CH2:18]1>O1CCCC1>[CH3:2][C:3]([C:6]1[CH:11]=[C:10]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:9]=[CH:8][C:7]=1[CH2:17][CH2:18][OH:19])([CH3:5])[CH3:4]
1
C(C)(C)(C)[SiH](C)C.C(C)(C)(C)OC(=O)C1=CC=C(C=C1)C=1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5([C@@H]([C@H]4CC[C@@H]3[C@]2(CC1)C)[C@@H](CC5)C(=C)C)C(=O)OCC5=CC=CC=C5)C)C)(C)C>>C(C)(C)(C)OC(=O)C1=CC=C(C=C1)C=1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5([C@@H]([C@H]4CC[C@@H]3[C@]2(CC1)C)[C@@H](CC5)C(=C)C)C(=O)O[Si](C)(C)C(C)(C)C)C)C)(C)C
5
[CH2:1]([O:8][C:9]([N:11]=[C:12]([C:18]([F:21])([F:20])[F:19])[C:13]([O:15][CH2:16][CH3:17])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>C(OCC)C>[CH2:1]([O:8][C:9]([NH:11][CH:12]([C:18]([F:19])([F:21])[F:20])[C:13]([O:15][CH2:16][CH3:17])=[O:14])=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
1
C(O[C:5](=[O:7])C)(=O)C.C(O)=O.[N:11]1[N:15]2[CH2:16][CH2:17][CH2:18][NH:19][C:14]2=[CH:13][CH:12]=1.C(=O)(O)[O-].[Na+]>ClCCl>[CH:5]([N:19]1[CH2:18][CH2:17][CH2:16][N:15]2[N:11]=[CH:12][CH:13]=[C:14]12)=[O:7]
1
Cl.Cl.C1(=CC=CC2=CC=CC=C12)CCCCN1CCNCC1.C(C)(C)(C)OC(=O)N1CCC(=CC1)C(C1=CC=C(C=C1)F)C(=O)O.Cl.CNC(CCN=C=NCC)NC>>C(C)(C)(C)OC(=O)N1CCC(=CC1)C(C(=O)N1CCN(CC1)CCCCC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)F
5
ClC1=NC=CC(=C1C)I.C(#C)C=1N=C(N(C1C)C=1C=NC=C(C1)C)C(=O)N>[Cu]I.N(C)(C)C=O.CCN(CC)CC.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]>ClC1=NC=CC(=C1C)C#CC=1N=C(N(C1C)C=1C=NC=C(C1)C)C(=O)N
3
C(C1=CC=CC=C1)(=O)C1=CC=C(C(=O)O)C=C1>>C(C1=CC=CC=C1)(=O)C1=CC=C(C(=O)OCC)C=C1
5
ClC=1C=CC2=C(C(OC(C=3N2C=CN3)CC3OCCO3)C3=C(C(=CC=C3)OC)OC)C1>ClCCl.Cl(=O)(=O)(=O)O>ClC=1C=CC2=C(C(OC(C=3N2C=CN3)CCO)C3=C(C(=CC=C3)OC)OC)C1
3
N1=CC=C(C=C1)N1CCNCC1.C(C1=CC=CC=C1)OC(=O)N[C@@H](CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(C1=CC=CC=C1)OC(=O)N[C@@H](CC1CCN(CC1)C(=O)OC(C)(C)C)C(N1CCN(CC1)C1=CC=NC=C1)=O
3
NC(=S)N.Br.BrC(C(=O)C=1C=C(C#N)C=CC1)N1N=CN=C1>CCO[H].Cl>NC=1SC(=C(N1)C=1C=C(C#N)C=CC1)N1N=CN=C1
3
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[CH:5]=1)([O-])=O.[Cl-].[NH4+]>C(O)C.O.[Zn]>[C:14]1([S:11]([CH2:10][C:6]2[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=2)[NH2:1])(=[O:12])=[O:13])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1
1
[CH:1]1[C:13]2[NH:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[C:3]([C:14](N2C=CN=C2)=O)[N:2]=1.[OH:21][NH:22][C:23](=[NH:26])[CH2:24][CH3:25]>C1(C)C=CC=CC=1.CN(C=O)C>[CH2:24]([C:23]1[N:26]=[C:14]([C:3]2[N:2]=[CH:1][C:13]3[NH:12][C:11]4[C:6]([C:5]=3[CH:4]=2)=[CH:7][CH:8]=[CH:9][CH:10]=4)[O:21][N:22]=1)[...
1
BrC1=CC=C(C=C1)[N+](=O)[O-]>C(C)(=O)OCC.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C1=CC=C(C=C1)[N+](=O)[O-])C
3
NN1CCN(CC1)CC.FC(C=1C=C(C=C(C1)C(F)(F)F)C1=NN(C=N1)\C=C/C(=O)O)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)C1=NN(C=N1)\C=C/C(=O)NN1CCN(CC1)CC)(F)F
5
[CH2:1]1[CH2:13][O:12][C:11]2[CH:10]=[CH:9][C:5]([CH2:6][CH2:7][NH2:8])=[CH:4][C:3]=2[O:2]1.Cl[C:15]1[C:16]2[CH:29]=[C:28]([CH2:30][CH3:31])[S:27][C:17]=2[N:18]=[C:19]([C:21]2[CH:26]=[N:25][CH:24]=[CH:23][N:22]=2)[N:20]=1>>[N:22]1[CH:23]=[CH:24][N:25]=[CH:26][C:21]=1[C:19]1[N:20]=[C:15]([NH:8][CH2:7][CH2:6][C:5]2[CH:9]...
1
Br[C:2]1[CH:3]=[C:4]([NH:14][C:15]([CH:17]2[CH2:21][CH2:20][C:19](=[O:22])[N:18]2[CH:23]2[CH2:28][CH2:27][N:26]([CH2:29][C:30]3[CH:35]=[CH:34][C:33]([Cl:36])=[C:32]([CH3:37])[CH:31]=3)[CH2:25][CH2:24]2)=[O:16])[CH:5]=[C:6]([C:8]2[N:12]([CH3:13])[N:11]=[N:10][N:9]=2)[CH:7]=1.C(N(CC)CC)C.CN([CH:48]=[O:49])C.[CH3:50][OH:5...
1
C([O-])([O-])=O.[Na+].[Na+].B(O)(O)[C:8]1[CH:13]=[CH:12][C:11]2[O:14][CH2:15][O:16][C:10]=2[CH:9]=1.Cl[C:20]1[N:25]=[C:24]([N:26]2[CH2:31][CH2:30][CH:29]([C:32]3[CH:37]=[CH:36][C:35]([C@@H:38]([NH:40][C:41](=[O:43])[CH3:42])[CH3:39])=[CH:34][CH:33]=3)[CH2:28][CH2:27]2)[CH:23]=[CH:22][N:21]=1>O1CCOCC1.CN(C=O)C.O.Cl[Pd](...
1
FC1=C(C=CC=C1CC1N(CC(C1O)(F)F)C(=O)OC(C)(C)C)C1=CC(=CC=C1)F>O.C(C)OCC.c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC1=C(C=CC=C1C[C@@H]1N(CC([C@H]1OS(=O)(=O)C(F)(F)F)(F)F)C(=O)OC(C)(C)C)C1=CC(=CC=C1)F
3
OS(O)(=O)=O.[N+:6]([O-:9])(O)=[O:7].[Br:10][C:11]1[S:15][N:14]=[CH:13][CH:12]=1>>[Br:10][C:11]1[S:15][N:14]=[CH:13][C:12]=1[N+:6]([O-:9])=[O:7]
1
C(=O)([O-])[O-].[Cs+].[Cs+].[CH2:7]([SH:10])[CH2:8][CH3:9].[Na+].[I-].Cl[CH2:14][C:15]1[N:16]=[C:17]([NH:20][C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[S:18][CH:19]=1>C1COCC1>[CH2:7]([S:10][CH2:14][C:15]1[N:16]=[C:17]([NH:20][C:21](=[O:27])[O:22][C:23]([CH3:25])([CH3:24])[CH3:26])[S:18][CH:19]=1)[CH2:8][CH...
2
C1(CCC1)COC1=NN(C2=NC=C(C=C21)NC(C2=C(C(=CC=C2F)NS(=O)(=O)CCC)F)=O)CC2=CC=C(C=C2)OC>C(=O)(C(F)(F)F)O>C1(CCC1)COC1=NNC2=NC=C(C=C21)NC(C2=C(C(=CC=C2F)NS(=O)(=O)CCC)F)=O
3
C(C)OC(COC1=CC(=CC=C1)C(=C(C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)CC)=O>>C(C)C(=C(C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)C=1C=C(C=CC1)OCC(=O)O
5
C1(CC1)C(=O)NC1=CC(=C(N=N1)C(NC([2H])([2H])[2H])=O)NC=1C(=C(C(=O)OCC)C=CC1)OC>>C1(CC1)C(=O)NC1=CC(=C(N=N1)C(NC([2H])([2H])[2H])=O)NC=1C(=C(C(=O)O)C=CC1)OC
5
[H-].[Na+].[Si:3]([O:10][CH2:11][C@H:12]1[O:17][C@:16]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[C:22]([CH2:27][C:28]3[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[C:30]([F:36])[C:29]=3[F:37])[CH:21]=2)([O:18][CH3:19])[C@H:15]([OH:38])[C@@H:14]([OH:39])[C@@H:13]1[OH:40])([C:6]([CH3:9])([CH3:8])[CH3:7])([CH3:5])[CH3:4].[CH2:41](B...
1
C(C)OC(=O)N=C=S.ClC1=CC=C(CSO)C=C1>C1CCCO1.CCN(CC)CC>C(=O)(OCC)NC(SCC1=CC=C(C=C1)Cl)=S
3
C(OC(=O)C)C.Cl.[F:8][C:9]1[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH3:22])=[C:15]2[C:10]=1[C:11](=[O:48])[C:12]([C:40]1[CH:45]=[CH:44][C:43]([O:46][CH3:47])=[CH:42][CH:41]=1)=[CH:13][N:14]2[CH2:23][C:24]([NH:26][CH:27]1[CH2:32][CH2:31][N:30](C(OC(C)(C)C)=O)[CH2:29][CH2:28]1)=[O:25]>C(O)C>[F:8][C:9]1[CH:18]=[CH:17]...
1
C(C)(C)(C)OC(=O)N1[C@@H](CCC1)C=1NC(=CN1)C=1C=C2C=CC(=CC2=CC1)C1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N(CC(=C1)C)C(=O)OC(C)(C)C>>CC1=C[C@H](NC1)C=1NC(=CN1)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2C=C1)C1=CN=C(N1)[C@H]1NCCC1
5
[CH3:1][O:2][C:3]([C:5]1[CH:6]=[C:7]([CH:23]=[CH:24][CH:25]=1)[CH2:8][N:9]1[C:17]2[C:12](=[CH:13][C:14]([C:18]([OH:20])=O)=[CH:15][CH:16]=2)[C:11]([CH3:21])=[C:10]1[CH3:22])=[O:4].[CH:26]1([C:29]2[CH:30]=[C:31]([C@@H:35]([NH2:37])[CH3:36])[CH:32]=[CH:33][CH:34]=2)[CH2:28][CH2:27]1>>[CH:26]1([C:29]2[CH:30]=[C:31]([C@@H:...
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH:9]2[CH2:12][N:11](C(OC(C)(C)C)=O)[CH2:10]2)=[CH:4][CH:3]=1.[ClH:20].O1CCOCC1>>[ClH:20].[F:1][C:2]1[CH:3]=[CH:4][C:5]([S:8][CH:9]2[CH2:12][NH:11][CH2:10]2)=[CH:6][CH:7]=1
1
CB1OB(OB(O1)C)C.IC=1C=C(C=C2C=C(C(OC12)C(F)(F)F)C(=O)OCC)OC(F)(F)F>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>CC=1C=C(C=C2C=C(C(OC12)C(F)(F)F)C(=O)OCC)OC(F)(F)F
3
C(C)(C)(C)OC(=O)NCC(C)C1=NC=2N(C(N(C(C2N1C)=O)CC=1N(C2=CC=CC(=C2C1)Cl)C(=O)OC(C)(C)C)=O)C>ClCCl.C(=O)(C(F)(F)F)O>NCC(C)C1=NC=2N(C(N(C(C2N1C)=O)CC=1NC2=CC=CC(=C2C1)Cl)=O)C
3