Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([S:10]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][CH:14]2[CH2:19][CH2:20][C:21](OCC)=[O:22])(=[O:12])=[O:11])=[C:5]([CH3:26])[CH:4]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.C1COCC1>C1COCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH3:26])[C:6]([S:10]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][...
1
Cl.NC1=C(C=CC=C1)B(O)O.IC1=C(N=CN1CC(C)C)C#N>>NC1=C(C=CC=C1)C1=C(N=CN1CC(C)C)C#N
5
COC1=NC=CC=C1B(O)O.ClC1=C(C=CC(=N1)NC(=O)C1(CC1)C1=CC2=C(OC(O2)(F)F)C=C1)C>>FC1(OC2=C(O1)C=CC(=C2)C2(CC2)C(=O)NC2=CC=C(C(=N2)C=2C(=NC=CC2)OC)C)F
5
FC(C=1OC2=CC(=CC=C2C(C1C1=CC=C(C(=O)OCC)C=C1)=O)O)F>>FC(C=1OC2=CC(=CC=C2C(C1C1=CC=C(C(=O)O)C=C1)=O)O)F
5
F[B-](F)(F)F.C[O+](C)C.C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)[C@@H]1C(O[C@H]([C@@H]([C@H](CCC1)OCC(=C)C)O)C)=O>ClCCl.CN(C)C1=CC=CC2=C1C(=CC=C2)N(C)C>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)[C@@H]1C(O[C@H]([C@@H]([C@H](CCC1)OCC(=C)C)OC)C)=O
3
[CH3:1][C:2]1([CH2:15][C:16]([NH2:18])=[O:17])[C:7]2[NH:8][C:9]3[C:14]([C:6]=2[CH2:5][CH2:4][O:3]1)=[CH:13][CH:12]=[CH:11][CH:10]=3.F[B-](F)(F)F.[CH2:24]([O+](CC)CC)[CH3:25]>C(Cl)Cl>[CH2:24]([O:17][C:16](=[NH:18])[CH2:15][C:2]1([CH3:1])[C:7]2[NH:8][C:9]3[C:14]([C:6]=2[CH2:5][CH2:4][O:3]1)=[CH:13][CH:12]=[CH:11][CH:10]=...
1
C(C)(C)(C)[Si](C)(C)Cl>N(C)(C)C=O.c1cnc[nH]1.C(O)CN>[Si](C)(C)(C(C)(C)C)OCCN
3
ClC=1C=C(CNC=2NC(C3=C(N2)C=NN3CCOC(COC)CNC)=O)C=CC1Cl>O.CO[H].C(C)(=O)O.C=O.C(#N)[BH3-].[Na+]>ClC=1C=C(CNC=2NC(C3=C(N2)C=NN3CCOC(CN(C)C)COC)=O)C=CC1Cl
3
CI.C(C)(C)(C)OC(N[C@@H]1C[C@H](C1)O)=O>C1CCCO1.[H-].[Na+].C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(N[C@@H]1C[C@H](C1)OC)=O
3
[O:1]1[C:3]2([CH2:8][CH2:7][O:6][CH2:5][CH2:4]2)[CH:2]1[C:9]#[N:10].N1C=CC=CC=1.[FH:17].C(OCC)(=O)C>ClCCl>[F:17][C:3]1([CH:2]([OH:1])[C:9]#[N:10])[CH2:8][CH2:7][O:6][CH2:5][CH2:4]1
1
ClC1=CC(=C(C=N1)CO)NC1=CC=CC=C1>ClCCl.[O-2].[Mn+2]>ClC1=NC=C(C=O)C(=C1)NC1=CC=CC=C1
3
[NH:1]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:4](=O)[C:2]1=[O:3].[C:12]([O:16][C:17]([N:19]1[CH2:24][CH2:23][C:22](=O)[CH2:21][CH2:20]1)=[O:18])([CH3:15])([CH3:14])[CH3:13].C([OH:28])C>[OH-].[K+]>[C:12]([O:16][C:17]([N:19]1[CH2:24][CH2:23][C:22]2[N:1]=[C:11]3[CH:10]=[CH:9][CH:8]=[CH:7][C:6]3=[C:4]([C:2]([OH:28])...
1
O=C1NC=2N(N=C3C=CC=C(C23)OCC(F)(F)F)C(=C1)C1CCN(CC1)C(=O)OC(C)(C)C>>Cl.N1CCC(CC1)C1=CC(NC=2N1N=C1C=CC=C(C21)OCC(F)(F)F)=O
5
OC1=NC=CC=C1>CS(=O)C.C1(CCCCC1)N=C=NC1CCCCC1.P(O)(O)(O)=O>N1=C(C=CC=C1)C=O
3
C(C)(C)(C)C=1C=C(CBr)C=C(C1)C(C)(C)C.COC(CC1=CC(=CC=C1)OCCCNCC(C1=CC=CC=C1)C1=CC=CC=C1)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC(CC1=CC(=CC=C1)OCCCN(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)CC(C1=CC=CC=C1)C1=CC=CC=C1)=O
3
I[Si](C)(C)C.ClC1=CC=C(C=2N3C(=NC21)N(CCC3)C=3C(=NC(=NC3C)OC)C)C(C(F)(F)F)OC(F)F>CC#N.[I-].[Na+]>ClC1=CC=C(C=2N3C(=NC21)N(CCC3)C=3C(=NC(=NC3C)O)C)C(C(F)(F)F)OC(F)F
3
[Cl:1][C:2]1[C:9]([N:10]2[CH2:15][CH2:14][CH2:13][CH:12]([C:16]([F:19])([F:18])[F:17])[CH2:11]2)=[CH:8][C:5]([NH:6][CH3:7])=[C:4]([N+:20]([O-])=O)[CH:3]=1.C1COCC1>[Pt].CO>[Cl:1][C:2]1[C:9]([N:10]2[CH2:15][CH2:14][CH2:13][CH:12]([C:16]([F:19])([F:18])[F:17])[CH2:11]2)=[CH:8][C:5]([NH:6][CH3:7])=[C:4]([CH:3]=1)[NH2:20]
1
COC([C@@H](CC1=CNC2=CC=CC=C12)N)=O.N1(CCOCC1)C1=CC=C(C=O)C=C1>>O1CCN(CC1)C1=CC=C(C=C1)C1N[C@H](CC2=C1NC1=CC=CC=C21)C(=O)OC
5
C(C)I.BrC1=NN(C=2N=C(N(C(C21)=O)C)N2[C@H]1[C@@H](C[C@@H]2CC1)NC(OC(C)(C)C)=O)C1OCCCC1>>BrC1=NN(C=2N=C(N(C(C21)=O)C)N2[C@H]1[C@@H](C[C@@H]2CC1)N(C(OC(C)(C)C)=O)CC)C1OCCCC1
5
Br[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:12]=[O:13].CC1(C)C(C)(C)OB([C:22]2[CH:27]=[CH:26][C:25]([C:28]3([OH:32])[CH2:31][CH2:30][CH2:29]3)=[CH:24][CH:23]=2)O1.C(=O)([O-])[O-].[K+].[K+].[NH4+].[Cl-]>C1(C)C=CC=CC=1.CCO.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=...
1
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[N:8]=[C:9]([O:16][C@H:17]2[CH2:21][NH:20][C@H:19]([C:22]([NH:24][C@:25]3([C:30]([O:32][CH3:33])=[O:31])[CH2:27][C@H:26]3[CH:28]=[CH2:29])=[O:23])[CH2:18]2)[C:10]2[S:15][CH:14]=[CH:13][C:11]=2[N:12]=1.[C:34]([O:38][C:39]([NH:41][C@@H:42]([CH2:46][CH2:47][CH2:48][CH2:49][CH2:...
2
[F:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][O:7][C:8]2[CH:13]=[CH:12][N:11]([CH2:14][C:15]([C:17]3[CH:22]=[CH:21][C:20]([CH2:23]O)=[CH:19][CH:18]=3)=[O:16])[C:10](=[O:25])[CH:9]=2)=[CH:4][CH:3]=1.N1C=CC=CC=1.S(Cl)([Cl:36])=O>C(Cl)Cl.O>[Cl:36][CH2:23][C:20]1[CH:21]=[CH:22][C:17]([C:15](=[O:16])[CH2:14][N:11]2[CH:12]=[CH:13]...
1
[C:1]1([N:7]2[C:25](=[O:26])[C:10]3=[CH:11][NH:12][C:13]4[CH:14]=[CH:15][C:16]([N:19]5[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]5)=[N:17][C:18]=4[C:9]3=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:27]C1NCCNC1>>[CH3:27][CH:23]1[NH:22][CH2:21][CH2:20][N:19]([C:16]2[CH:15]=[CH:14][C:13]3[NH:12][CH:11]=[C:10]4[C:25](=[O:26]...
2
[Cl:1][C:2]1[C:3]([CH3:12])=[C:4]([NH:8][C:9](=[O:11])[CH3:10])[CH:5]=[CH:6][CH:7]=1.[Br:13]Br.O>C(O)(=O)C>[Br:13][C:7]1[CH:6]=[CH:5][C:4]([NH:8][C:9](=[O:11])[CH3:10])=[C:3]([CH3:12])[C:2]=1[Cl:1]
1
FC1=CC(=C(C=C1)C1=C(C=NC=C1)N(C(C1=CC(=CC(=C1)C(F)(F)F)SCCNS(=O)(=O)C)=O)C)OC>>FC1=CC(=C(C=C1)C1=C(C=NC=C1)N(C(C1=CC(=CC(=C1)C(F)(F)F)S(=O)(=O)CCNS(=O)(=O)C)=O)C)OC
5
O=C1NC(CCC1NC1=CC(=C(C=C1)N1CCC(CC1)(O)CC(=O)OC)F)=O>C1CCCO1.Cl>O=C1NC(CCC1NC1=CC(=C(C=C1)N1CCC(CC1)(O)CC(=O)O)F)=O
3
NC1=CC(=NN1)C1=CC=C(C=C1)F.ClC1=C(C(=O)N[C@@H]2CC[C@@H](CC2)C=O)C=C(C=C1)C(F)(F)F>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC1=C(C(=O)N[C@@H]2CC[C@@H](CC2)CNC2=CC(=NN2)C2=CC=C(C=C2)F)C=C(C=C1)C(F)(F)F
3
[CH3:1][C:2]1[CH:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([C:13]([CH3:16])([CH3:15])[CH3:14])=[CH:9][CH:8]=2)[O:4][N:3]=1.[H][H]>[Pt](=O)=O.C(O)C>[NH2:3][C:2]([CH3:1])=[CH:6][C:5]([C:7]1[CH:8]=[CH:9][C:10]([C:13]([CH3:16])([CH3:15])[CH3:14])=[CH:11][CH:12]=1)=[O:4]
1
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][CH2:10][C:11]2[N:15]([CH3:16])[C:14]3[CH:17]=[CH:18][C:19]([C:21]([NH2:30])([C:23]([N:25]4[CH2:29][CH2:28][CH2:27][CH2:26]4)=[O:24])[CH3:22])=[CH:20][C:13]=3[N:12]=2)=[CH:5][CH:4]=1)#[N:2].Br[CH:32]([CH2:40][CH2:41]Br)[C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34].C(=O)([O...
1
FC=1C(=NC=C2C(=C(C=NC12)OC)N1[C@@H]2CCN([C@@H]2C1)C(=O)OC(C)(C)C)C1=CC=CC2=CC=C(C(=C12)C#C[Si](C(C)C)(C(C)C)C(C)C)F>N(C)(C)C=O.[F-].[Cs+]>C(#C)C=1C(=CC=C2C=CC=C(C12)C1=NC=C2C(=C(C=NC2=C1F)OC)N1[C@@H]2CCN([C@@H]2C1)C(=O)OC(C)(C)C)F
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:40]=[CH:41][CH:42]=1)[CH2:6][N:7]1[CH:11]=[C:10]([C:12]2[C:20]3[C:15](=[N:16][CH:17]=[C:18]([C:21]4[CH:26]=[CH:25][C:24]([CH:27]5[CH2:32][CH2:31][N:30](C(OC(C)(C)C)=O)[CH2:29][CH2:28]5)=[CH:23][CH:22]=4)[CH:19]=3)[NH:14][CH:13]=2)[CH:9]=[N:8]1>C(O)(C(F)(F)F)=O.C1(C)C=CC=CC=1>[CH3:1][O...
1
BrC1=CC2=C(S1)CCCC21NC(NC1=O)=O>>BrC1=CC2=C(S1)CCCC21NC(NC1=O)=S
5
O[C@@H]([C@@H](C(N1CCCC1)=O)NC(OC(C)(C)C)=O)C>C(C)OCC.ClCCl.Cl>N[C@H](C(=O)N1CCCC1)[C@@H](C)O
3
NCCC1=CC=C(C=C1)O.ClC1=C(C=CC=C1)C1=NN(C=C1C(=O)OC)C1=NC(=NC=C1)Cl>CC#N.ClCCl>ClC1=C(C=CC=C1)C1=NN(C=C1C(=O)OC)C1=NC(=NC=C1)NCCC1=CC=C(C=C1)O
3
IC1C2CC3C(=CC=CC=3)NC=2C(C(OC)=O)=CC=1.[I:20][C:21]1[CH:22]=[C:23]2[C:32](=[CH:33][CH:34]=1)[C:31](=O)[C:30]1[CH:29]=[CH:28][CH:27]=[C:26]([C:36]([O:38][CH3:39])=[O:37])[C:25]=1[NH:24]2.[K+].[Br-]>>[I:20][C:21]1[CH:22]=[C:23]2[C:32](=[CH:33][CH:34]=1)[CH2:31][C:30]1[CH:29]=[CH:28][CH:27]=[C:26]([C:36]([O:38][CH3:39])=[...
2
O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+].NC(=O)C1=CC=C(C=C1)B(O)O.C(C)OC(N(C1=CC=CC=C1)CCNC=1C=CC=2N(N1)C(=CN2)Br)=O>>C(C)OC(N(C1=CC=CC=C1)CCNC=1C=CC=2N(N1)C(=CN2)C2=CC=C(C=C2)C(N)=O)=O
5
FC(C=1C=C(C=2N(C1)C=C(N2)[C@@H](C)NS(=O)C(C)(C)C)N2C(N(C(C2)=O)C)=O)F>CO[H].ClCCl.Cl.N>NC(C)C=1N=C2N(C=C(C=C2N2C(N(C(C2)=O)C)=O)C(F)F)C1
3
S1C(=NC2=C1C=CC=C2)C2=CC=C(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C=C2>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.S1C(=NC2=C1C=CC=C2)C2=CC=C(C=C2)C(=O)N2CCNCC2
3
N1=NC(=CC2=C1OCCO2)C=O.NC1CCN(CC1)CCN1C(C=CC2=NC=C(C(=C12)CC)F)=O>C(Cl)(Cl)(Cl)[H].CO[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>Cl.Cl.N1=NC(=CC2=C1OCCO2)CNC2CCN(CC2)CCN2C(C=CC1=NC=C(C(=C21)CC)F)=O
3
CO.[OH-].[K+].C(C)(C)(C)[Si](OCC1=CC=C(C=C1)C#C[Si](C)(C)C)(C)C>CO[H].C(C)(=O)O>C(C)(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C#C
3
[CH2:1]([N:8]1[CH2:12][C@H:11]([CH3:13])[C@@H:10]([C:14]([OH:16])=O)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:17]1([NH2:20])[CH2:19][CH2:18]1.C(N=C=NCCCN(C)C)C.Cl>ClCCl>[CH2:1]([N:8]1[CH2:12][C@H:11]([CH3:13])[C@@H:10]([C:14]([NH:20][CH:17]2[CH2:19][CH2:18]2)=[O:16])[CH2:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6]...
1
[CH3:1][N:2]([CH:4](OC)OC)[CH3:3].[C:9]([N:16]1[CH2:21][CH2:20][C:19](=[O:22])[CH2:18][CH2:17]1)([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10]>CN(C=O)C>[C:12]([O:11][C:9]([N:16]1[CH2:21][CH2:20][C:19](=[O:22])[C:18](=[CH:1][N:2]([CH3:4])[CH3:3])[CH2:17]1)=[O:10])([CH3:15])([CH3:14])[CH3:13]
1
Cl[Si](C(C)C)(C(C)C)C(C)C.O[C@H]1C[C@@H](N(C1)C(=O)OCC1=CC=CC=C1)C(=O)OC>c1cnc[nH]1.ClCCl>C(C)(C)[Si](O[C@H]1C[C@@H](N(C1)C(=O)OCC1=CC=CC=C1)C(=O)OC)(C(C)C)C(C)C
3
ClC=1C=CC(=C(C=O)C1)OCC1OC1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>ClC=1C=CC(=C(C1)O)OCC1OC1
3
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]([CH3:16])[CH:12]=[C:11](B(O)O)[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[C:21]1[N:26]=[C:25]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH:24]=[CH:23][N:22]=1.[F-].[K+]>O1CCOCC1.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[CH2:1]([O:8][C:9]...
1
C(C)[C@H]1N(C[C@@H](N(C1)C=1C=2C(N(C(C1)=O)C)=CN(N2)C2OCCCC2)C)C(C)C2=C(C=C(C=C2)C(F)(F)F)F>CO[H].Cl.C([O-])([O-])=O.[Na+].[Na+]>C(C)[C@H]1N(C[C@@H](N(C1)C=1C=2C(N(C(C1)=O)C)=CNN2)C)C(C)C2=C(C=C(C=C2)C(F)(F)F)F
3
OC1(CCNCC1)C1=CC=CC=C1.N1(CCCCC1)CCCOC1=CC=C(C=O)C=C1>>N.C(Cl)Cl.C1(=CC=CC=C1)C1(CCN(CC1)CC1=CC=C(C=C1)OCCCN1CCCCC1)O
5
B#B.BrC=1C(=CC=C2C(=CN(C12)CC#N)C)COC1CN(CCC1C1=CC=C(C=C1)OCCCOCC1=C(C=CC=C1)OC)C(=O)OCC1=CC=CC=C1>>NCCN1C=C(C2=CC=C(C(=C12)Br)COC1CN(CCC1C1=CC=C(C=C1)OCCCOCC1=C(C=CC=C1)OC)C(=O)OCC1=CC=CC=C1)C
5
C(C)I.FC=1C=C(C(NC1)=O)C=O>C([O-])([O-])=O.[K+].[K+].COCCOC>C(C)N1C(C(=CC(=C1)F)C=O)=O
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][C@H:12]([CH2:14]Cl)[N:11]([CH2:16][C:17]([N:19]2[C:27]3[C:22](=[N:23][CH:24]=[C:25]([C:28]([F:33])([F:32])[CH2:29][CH2:30][CH3:31])[CH:26]=3)[C:21]([CH3:35])([CH3:34])[CH2:20]2)=[O:18])[CH2:10][C@H:9]1[CH3:36])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:37][C@@H:38]1[CH2:43][O:42][CH2:41][CH2:...
1
ClC1=NC=C(C(=N1)OC1COC1)C#N.C(C1=CC=CC=C1)OC(N(C1=NC=C(C=N1)C=1C=NC(=NC1)OC)[C@@H]1CC[C@H](CC1)N)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)NC(N(C1=NC=C(C=C1)C=1C=NC(=NC1)OC)[C@@H]1CC[C@H](CC1)NC1=NC=C(C(=N1)OC1COC1)C#N)=O
3
ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)SC)N(C1=O)CCOC1CCN(CC1)C(=O)OC(C)(C)C>O.ClCCl.ClC=1C=C(C(=O)OO)C=CC1>ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)S(=O)(=O)C)N(C1=O)CCOC1CCN(CC1)C(=O)OC(C)(C)C
3
C([O:5][C:6](=[O:32])[CH2:7][CH2:8][NH:9][C:10](=[O:31])[C:11]1[C:12](=[CH:14][CH:15]=[C:16]([NH:18][C:19](=[O:30])[CH2:20][CH2:21][NH:22]C(OC(C)(C)C)=O)[CH:17]=1)[NH2:13])(C)(C)C.[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36]>>[F:33][C:34]([F:39])([F:38])[C:35]([OH:37])=[O:36].[NH2:22][CH2:21][CH2:20][C:19]([NH:18...
1
[CH2:1]([CH:4]1[C:13]2[CH:12]=[CH:11][S:10][C:9]=2[CH2:8][CH2:7][C:6]2[CH:14]=[CH:15][CH:16]=[CH:17][C:5]1=2)C=C.C[N+]1([O-])[CH2:24][CH2:23][O:22]CC1.O.S(=O)(O)[O-:28].[Na+]>C(O)(C)(C)C.[Os](=O)(=O)(=O)=O>[S:10]1[CH:11]=[CH:12][C:13]2[CH:4]([CH2:1][CH:23]([OH:22])[CH2:24][OH:28])[C:5]3[CH:17]=[CH:16][CH:15]=[CH:14][C:...
2
Cl[C:2]1[C:7]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[O:15][CH3:16])=[C:6](Cl)[N:5]=[C:4]([CH2:18][CH2:19][CH3:20])[N:3]=1.[C:21]([C:25]1[CH:30]=[CH:29][C:28]([S:31]([NH2:34])(=[O:33])=[O:32])=[CH:27][CH:26]=1)([CH3:24])([CH3:23])[CH3:22]>>[C:21]([C:25]1[CH:30]=[CH:29][C:28]([S:31]([NH:34][C:2]2[C:7]([O:8][C:...
1
CB(O)O.ClC1=NC=C(C(=C1F)N)I>>ClC1=NC=C(C(=C1F)N)C
5
BrC1=NC2=NC=CC=C2C=C1.FC(CCC=C)(F)[C@@H]1CN(CC1)C(=O)OC(C)(C)C>C1CCCO1.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+].B1C2CCCC1CCC2>FC(CCCCC1=NC2=NC=CC=C2C=C1)(F)[C@H]1CN(CC1)C(=O)OC(C)(C)C
3
ClC=1C=C(C=CC1)CC(=O)O.Cl.NCCCC(=O)OCC.C(C)OC(CCCNC(CC1=CC(=CC=C1)Cl)=O)=O>>ClC=1C=C(C=CC1)CC(=O)NCCCC(=O)O
5
C1(CCCC1)CO.C(=O)(OC(C)(C)C)NCCC1=CC(=C(C#N)C(=C1)F)F>>C(=O)(OC(C)(C)C)NCCC1=CC(=C(C#N)C(=C1)F)OCC1CCCC1
5
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6].Br[CH2:11][CH2:12][O:13][CH3:14].C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C.O>[CH3:14][O:13][CH2:12][CH2:11][O:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6]
1
C(Cl)(=O)C.[C:5]([CH:7]([CH:12]([C:18]1[CH:23]=[CH:22][C:21]([F:24])=[C:20]([C:25]([F:28])([F:27])[F:26])[CH:19]=1)[CH2:13][C:14](OC)=[O:15])[C:8]([O:10]C)=[O:9])#[N:6].[H][H].C(=O)([O-])[O-].[K+].[K+].Cl>[Pt](=O)=O.CO>[F:24][C:21]1[CH:22]=[CH:23][C:18]([C@@H:12]2[CH2:13][C:14](=[O:15])[NH:6][CH2:5][C@H:7]2[C:8]([OH:10...
2
ClCCl.Cl.[NH2:5][CH:6]1[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1.[C:15](Cl)(=[O:18])[CH2:16][CH3:17].Cl>C(N(CC)CC)C>[CH2:7]1[C:8]2[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:14][CH:6]1[NH:5][C:15](=[O:18])[CH2:16][CH3:17]
1
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][NH2:9].[CH:10]([CH:12]=O)=[O:11]>O.CC(O)=O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][N:9]=[CH:12][CH:10]=[O:11]
2
[NH3:1].[S:2](=[O:6])(=[O:5])([OH:4])[OH:3]>>[S:2]([O-:6])([O-:5])(=[O:4])=[O:3].[NH4+:1].[NH4+:1].[S:2](=[O:4])(=[O:3])([OH:6])[OH:5]
1
C(O[C:6]([N:8]1[CH2:12][C:11](=[N:13][O:14][CH3:15])[CH2:10][C@H:9]1[C:16](O)=O)=[O:7])(C)(C)C.[C:19]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[CH:24]=[CH:23][C:22](C(Cl)=O)=[CH:21][CH:20]=1.[CH3:34][NH:35][C:36]1[C:37]([NH2:42])=[CH:38][CH:39]=[CH:40][CH:41]=1>>[CH3:15][O:14][N:13]=[C:11]1[CH2:10][C@@H:9]([C:16...
1
[Br:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[CH:12]=[CH:13][CH2:14][OH:15].C1(C)C=CC(S(NN)(=O)=O)=CC=1.O.O.O.C([O-])(=O)C.[Na+]>CN(C=O)C.O>[Br:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[CH2:12][CH2:13][CH2:14][OH:15]
1
[Li+].[Cl-].[BH4-].[Na+].C[O:6][C:7](=O)/[CH:8]=[CH:9]/[CH2:10][C@H:11]1[CH2:13][C@@H:12]1[C:14]1[CH:15]=[N:16][CH:17]=[C:18]([O:20][CH2:21][C@@H:22]2[CH2:25][CH2:24][N:23]2[C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[CH:19]=1>CCO.C1COCC1>[C:29]([O:28][C:26]([N:23]1[CH2:24][CH2:25][C@H:22]1[CH2:21][O:20][C:...
1
[C:1]([C:3]1[C:8]([F:9])=[CH:7][CH:6]=[CH:5][C:4]=1[OH:10])#[N:2].Cl[S:12]([N:15]=C=O)(=[O:14])=[O:13].C1(O)C=CC=CC=1.Cl>C1(C)C=CC=CC=1>[NH2:2][C:1]1[C:3]2[C:8]([F:9])=[CH:7][CH:6]=[CH:5][C:4]=2[O:10][S:12](=[O:14])(=[O:13])[N:15]=1
1
Cl.[CH3:2][O:3][C:4](=[O:15])[C@H:5]([CH2:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=1)[NH2:6].C(N(C(C)C)CC)(C)C.[CH2:25]([O:28][C:29](Cl)=[O:30])[CH:26]=[CH2:27].[Cl-].[NH4+]>C1COCC1.C(Cl)Cl>[CH3:2][O:3][C:4](=[O:15])[C@@H:5]([NH:6][C:29]([O:28][CH2:25][CH:26]=[CH2:27])=[O:30])[CH2:7][C:8]1[CH:9]=[CH:10][C:1...
1
[OH-].[Na+].[CH2:3]([N:10]1[CH2:14][CH2:13][C@H:12]([O:15]C(=O)CCC)[CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1>>[CH2:3]([N:10]1[CH2:14][CH2:13][C@H:12]([OH:15])[CH2:11]1)[C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1
1
CI.C(C)(=O)N[C@@H]1CN(CC1)C(=O)OC(C)(C)C>O.C1CCCO1.C(C)(=O)OCC.[H-].[Na+]>Cl.CN(C(C)=O)[C@@H]1CNCC1
3
CO[C:3](=[O:16])[CH2:4][C:5](=O)[CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1.[F:17][C:18]1[CH:23]=[CH:22][C:21]([NH:24][NH2:25])=[CH:20][CH:19]=1.Cl.CCOC(C)=O>C(O)(=O)C.O>[F:17][C:18]1[CH:23]=[CH:22][C:21]([N:24]2[C:3](=[O:16])[CH2:4][C:5]([CH2:6][CH2:7][C:8]3[CH:9]=[CH:10][C:11]([F:14])=[CH:12][CH...
1
O=C1CCC(CC1)C(=O)O>CO[H].[Na+].[BH4-].Cl>OC1CCC(CC1)C(=O)O
3
B(Br)(Br)Br.[Br:5][C:6]1[CH:7]=[C:8]([CH2:34][C:35]([OH:37])=[O:36])[CH:9]=[C:10]([Br:33])[C:11]=1[O:12][C:13]1[CH:18]=[C:17]([CH:19]([CH3:21])[CH3:20])[CH:16]=[C:15](OC)[C:14]=1[C:24](=[O:32])[C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([CH3:31])[CH:26]=1>C(Cl)Cl>[Br:33][C:10]1[CH:9]=[C:8]([CH2:34][C:35]([OH:37])=[O:36])[CH:7...
1
[C:1]([O:5][C:6](=[O:20])[NH:7][C:8]1[CH:13]=[C:12]([CH3:14])[C:11]([C:15]([F:18])([F:17])[F:16])=[CH:10][C:9]=1[NH2:19])([CH3:4])([CH3:3])[CH3:2].C([O:25][C:26](=O)[CH2:27][C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([C:36]2[O:40][N:39]=[C:38]([CH3:41])[CH:37]=2)[CH:31]=1)=[O:29])(C)(C)C>>[C:1]([O:5][C:6](=[O:20])[NH:7...
1
C(C)NCC(=O)O.Cl.OC1=C(C=2N=C(C(=NC2C=C1)NCC1=CC=CC=C1)C1=CC=CC=C1)C(=O)O>>OC=1C(=C2N=C(C(=NC2=CC1)NCC1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCC(=O)OCC
5
Cl[C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([C:13]([CH3:16])([CH3:15])[CH3:14])=[N:10][C:9]=2[C:17]2[CH:18]=[CH:19][C:20]([F:35])=[C:21]([NH:23][S:24]([C:27]3[C:32]([F:33])=[CH:31][CH:30]=[CH:29][C:28]=3[F:34])(=[O:26])=[O:25])[CH:22]=2)[CH:5]=[CH:4][N:3]=1.[CH2:36]([NH2:40])[CH:37]([CH3:39])[CH3:38]>>[CH3:14][C:13]([C:11]1...
1
C(C1=CC=CC=C1)OC(=O)[C@H]1CC[C@H](CC1)NC(=O)C1(CCCC1)CC(C(=O)O)CCOCC>O.CCO[H].[OH-].[Na+].O1CCOCC1>C(=O)(O)[C@H]1CC[C@H](CC1)NC(=O)C1(CCCC1)CC(C(=O)O)CCOCC
3
ClC=1C(NC2=C3C(C(C4=C(C13)C=CC=C4)=O)=CC=C2)=O>CO[H].C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].C(C)(=O)[O-].[Na+].C(O)CN>OCCNC=1C(N(C2=C3C(C(C4=C(C13)C=CC=C4)=O)=CC=C2)C)=O
3
FC1=C(C(=CC=C1[N+](=O)[O-])F)C1=CC=NN1C1OCCCC1>>BrC=1C=NN(C1C1=C(C(=CC=C1F)[N+](=O)[O-])F)C1OCCCC1
5
Br[CH:2]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:3]([NH:5][CH2:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]#[N:14])=[CH:9][CH:8]=1)=[O:4].Cl.[CH3:22][NH:23][CH3:24].C(N(CC)CC)C>C1COCC1.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[C:13]([C:10]1[CH:11]=[CH:12][C:7]([CH2:6][NH:5][C:3](=[O:4])[CH:2]([N:23]([CH3:24])[CH3:22])[C:15]2[...
1
[Na].C[O-].[Na+].CS[C:7]1[CH:12]=[N:11][NH:10][C:9](=[O:13])[N:8]=1.Cl.[NH2:15][OH:16]>CO>[OH:16][NH:15][C:7]1[CH:12]=[N:11][NH:10][C:9](=[O:13])[N:8]=1
1
BrC1=C(N)C=CC(=C1)OC.IC=1C=NN(C(C1)=O)CC(=O)N(C1=CC2=C(N=C(O2)C)C=C1)C>>CN(C(C)=O)C1=CC2=C(N=C(O2)C)C=C1
5
[CH3:1][O:2][C:3]([NH:5][C@H:6]([C:10]([N:12]1[C@H:17]([C:18]2[NH:22][C:21]3[C:23]4[C:28]([CH:29]=[CH:30][C:20]=3[N:19]=2)=[CH:27][C:26]2[C:31]3[C:36]([CH2:37][O:38][C:25]=2[CH:24]=4)=[CH:35][C:34]([C:39]2[NH:43][C:42]([C@@H:44]4[CH2:48][C@H:47]([CH2:49][O:50][CH3:51])[CH2:46][N:45]4C(OC(C)(C)C)=O)=[N:41][CH:40]=2)=[CH...
1
C(OC([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16]([C:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH2:25][CH2:26][N:27](C(OC(C)(C)C)=O)[CH2:28][CH:29]=2)=[CH:20][CH:19]=1)=[O:17])=O)(C)(C)C.[ClH:37]>O1CCOCC1>[ClH:37].[ClH:37].[NH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=[O:17])[C:18]1[CH:23...
1
C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](C1)F)C(=O)O.FC(CCN1N=C(C=C1)N)(F)F>ClCCl.CS(=O)(=O)Cl.CN1C=NC=C1>F[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(NC1=NN(C=C1)CCC(F)(F)F)=O
3
[CH2:1]([C:8]1[C:13]([O:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[CH:12][C:11]([O:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[CH:10][C:9]=1[OH:30])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:31]([O:38][C:39]1[CH:40]=[C:41]([CH:46]=[CH:47][C:48]=1[O:49][CH2:50][C:51]1[CH:56]=[CH:55][C...
1
ClC=1C=C(C=C(C1)Cl)N=C=O.COC(=O)C1(SCCN1)CC>C1(=CC=CC=C1)C>COC(=O)C1(SCCN1C(NC1=CC(=CC(=C1)Cl)Cl)=O)CC
3
C(#N)C1=C(C(=NN1C)C(C(F)(F)F)(F)F)C(F)(F)F>N(C)(C)C=O.O.Cl.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>CN1N=C(C(=C1C=1N=NNN1)C(F)(F)F)C(C(F)(F)F)(F)F
3
NC=1SC=C(N1)C1=CC=C(C(=O)NC2CC2)C=C1.C(C1=CC=CC=C1)OC(=O)N1[C@H](SCC1C(=O)O)C1=CC=CC=C1>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>C(C1=CC=CC=C1)OC(=O)N1[C@H](SCC1C(NC=1SC=C(N1)C1=CC=C(C=C1)C(NC1CC1)=O)=O)C1=CC=CC=C1
3
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH3:7][C:8]1[C:12]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[C:11]([CH3:19])[N:10]([C:20]2[CH:30]=[CH:29][C:23]([C:24](OCC)=[O:25])=[CH:22][N:21]=2)[N:9]=1.O.O.O.O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Na+].[Na+].[F-].[K+]>O1CCCC1>[CH3:7][C:8]1[C:12]([C:13]2[CH:14]=[CH:15][CH:16]=[CH...
1
Cl[C:2]1[C:7]([C:8]#[N:9])=[N:6][CH:5]=[CH:4][N:3]=1.[C:10]([O:14][CH3:15])(=[O:13])[CH2:11][OH:12].C(=O)([O-])[O-].[K+].[K+].C(OCC)(=O)C>CN(C=O)C>[C:10]([C:11]1[O:12][C:2]2[N:3]=[CH:4][CH2:5][NH:6][C:7]=2[C:8]=1[NH2:9])([O:14][CH3:15])=[O:13]
1
[NH2:1][C@H:2]([C:4]([OH:6])=[O:5])[CH3:3].[C:7]1([CH3:17])[CH:12]=[CH:11]C(S(O)(=O)=O)=[CH:9][CH:8]=1.C(C(CC)CO)C.CCCC(C)C>C1(C)C=CC=CC=1>[NH2:1][C@@H:2]([CH3:3])[C:4]([O:6][CH2:17][CH:7]([CH2:12][CH3:11])[CH2:8][CH3:9])=[O:5]
2
C(C)(C)(C)OC(C[Zn]Br)=O.BrC1=C(C=C(C=C1C(C)C)F)C1=CC(=NC=C1)OC>O.C1CCCO1.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].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>FC1=CC(=C(C(=C1)C1=CC(=NC=C1)OC)CC(=O)OC(C)(C)C)C(C)C
3
C(O[CH:5]1[O:18][C@@H:17]([C:19]([F:22])([F:21])[F:20])[C@@H:12]([O:13][C:14](=[O:16])[CH3:15])[C@@H:7]([O:8][C:9](=[O:11])[CH3:10])[CH2:6]1)(=O)C.[BrH:23].C(O)(=O)C>>[C:9]([O:8][C@@H:7]1[C@H:12]([O:13][C:14](=[O:16])[CH3:15])[C@H:17]([C:19]([F:22])([F:21])[F:20])[O:18][C@@H:5]([Br:23])[CH2:6]1)(=[O:11])[CH3:10]
1
C(C)OC(CC[C@H]([C@@H](C=1OC=CC1)N(C)C(=O)OC(C)(C)C)C)=O>C1CCCO1.[BH4-].[Li+]>O1C(=CC=C1)[C@H]([C@@H](CCCO)C)N(C(OC(C)(C)C)=O)C
3
[H-].[Na+].[O:3]1[CH2:6][CH:5]([OH:7])[CH2:4]1.F[C:9]1[CH:10]=[CH:11][C:12]([N+:16]([O-:18])=[O:17])=[C:13]([CH3:15])[CH:14]=1>C1COCC1.O>[CH3:15][C:13]1[CH:14]=[C:9]([CH:10]=[CH:11][C:12]=1[N+:16]([O-:18])=[O:17])[O:7][CH:5]1[CH2:6][O:3][CH2:4]1
1
[CH3:1][CH:2]([CH2:4][N:5]([S:30]([C:33]1[CH:38]=[CH:37][C:36]([NH2:39])=[CH:35][CH:34]=1)(=[O:32])=[O:31])[CH2:6][C@@H:7]([O:25][P:26]([O-:29])([O-:28])=[O:27])[C@@H:8]([NH:16][C:17]([O:19][CH:20]1[CH2:24][O:23][CH2:22][CH2:21]1)=[O:18])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[CH3:3].[Ca+2:40]>CCC(=O)CC>...
2
C1(CCCCC1)CCC[C@H](CC(=O)OC(C)(C)C)C1=NC(=NO1)COC>C(=O)(C(F)(F)F)O>C1(CCCCC1)CCC[C@H](CC(=O)O)C1=NC(=NO1)COC
3
C1(=CC=CC=C1)S(=O)(=O)Cl.BrC1=C2C=CNC2=CC(=C1)F>ClCCl.[OH-].[Na+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC1=C2C=CN(C2=CC(=C1)F)S(=O)(=O)C1=CC=CC=C1
3