Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC1=CC=C(C(=O)Cl)C=C1.Cl.FC(C=1N=C(NC1)C1=NC(=NO1)[C@@H]1CNCCC1)(F)F>ClCCl.CCN(CC)CC>FC1=CC=C(C=C1)C(=O)N1C[C@H](CCC1)C1=NOC(=N1)C=1NC=C(N1)C(F)(F)F
3
CC1=C(C=CC=C1)N=C=S.COC1=CC=C(CN(C2=NC=C(C=N2)C=2C3=C(N=C(N2)N2CCOCC2)NCC3)CC3=CC=C(C=C3)OC)C=C1>N(C)(C)C=O.[H-].[Na+]>C1(=C(C=CC=C1)NC(=S)N1CCC2=C1N=C(N=C2C=2C=NC(=NC2)N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC)N2CCOCC2)C
3
N(=[N+]=[N-])C1=C(C=NC=C1F)C=O.NC1=C(C#N)C=C(C=C1Cl)F>>N(=[N+]=[N-])C1=C(C=NC=C1F)\C=N\C1=C(C#N)C=C(C=C1Cl)F
5
C(C1=CC=CC=C1)ON1C(C=C(C2=C1N=CN=C2C)NCC=2C=C(C=CC2)NS(=O)(=O)C)=O>>ON1C(C=C(C2=C1N=CN=C2C)NCC=2C=C(C=CC2)NS(=O)(=O)C)=O
5
ClC=1C=CC=2N(C1)N=C(C2C(C2=CC=CC(=N2)C(=O)OC)O)C2=CC=CC=C2>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>ClC=1C=CC=2N(C1)N=C(C2CC2=CC=CC(=N2)C(=O)OC)C2=CC=CC=C2
3
O[CH:2](CCN)C=O.C(OC(=O)C)(=O)C.[C:15]([O:18][CH:19]([CH2:22][CH2:23][NH:24][C:25](=[O:27])[CH3:26])[CH:20]=[O:21])(=[O:17])[CH3:16].[H-].[Na+].CI>N1C=CC=CC=1>[C:15]([O:18][CH:19]([CH2:22][CH2:23][N:24]([CH3:2])[C:25](=[O:27])[CH3:26])[CH:20]=[O:21])(=[O:17])[CH3:16]
1
ClC=1C(N(N=C(C1)Cl)C)=O.FC1=CC=C(C=C1)C=1OC2=C(C1C(=O)NC)C=C(C(=C2)N(S(=O)(=O)C)C)B2OC(C(O2)(C)C)(C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>ClC1=CC(=NN(C1=O)C)C=1C(=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C1)N(S(=O)(=O)C)C
3
Cl.C(C)ON.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)C(C)=O)COC(C)=O>>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)C(C)=NOCC)COC(C)=O
5
N1(CCCCC1)CCNC1=NNC2=CC=C(C=C12)[N+](=O)[O-]>>N1(CCCCC1)CCNC1=NNC2=CC=C(C=C12)N
5
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[N:9]1[C:14]2[N:15]=[C:16]([NH:27][CH2:28][C:29]#[N:30])[N:17]=[C:18]([C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:20]=3[CH3:26])[C:13]=2[CH:12]=[CH:11][C:10]1=[O:31].Cl.C(N(CC)CC)C.[N-:40]=[N+:41]=[N-:42].[Na+]>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[N:9]...
1
[Si:1](Cl)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH2:9]([OH:13])[C@H:10]([OH:12])[CH3:11].C(N(C(C)C)CC)(C)C>C(Cl)Cl.C(OCC)C.O>[CH3:5][C:4]([Si:1]([CH3:3])([CH3:2])[O:13][CH2:9][C@H:10]([OH:12])[CH3:11])([CH3:7])[CH3:6]
1
OC=1C(=C2CCCC(C2=CC1)=O)[N+](=O)[O-].N1(C=NC=C1)C[C@H](O)C=1C=NC=CC1>>N1(C=NC=C1)C[C@@H](OC=1C(=C2CCCC(C2=CC1)=O)[N+](=O)[O-])C=1C=NC=CC1
5
[CH3:1][N:2]([CH3:21])[CH:3]1[CH2:8][CH2:7][C:6]([C:9]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([N+:18]([O-])=O)[CH:16]=3)[NH:11][CH:10]=2)=[CH:5][CH2:4]1.O.NN>CO.[Ni]>[CH3:1][N:2]([CH3:21])[CH:3]1[CH2:8][CH2:7][C:6]([C:9]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([NH2:18])[CH:16]=3)[NH:11][CH:10]=2)=[CH:5][CH2:4]1
1
O[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2.[N+](=[N-])=C(C(=O)OCC)CC=C>>C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CC=1C(N(C=2N(C1CCC)N=CN2)[C@@H]2CC[C@H](CC2)OC(C(=O)OCC)CC=C)=O
5
C(C)(C)(C)OC(=O)N1C[C@H](CC1)NC1=CC(=C(C=C1)OC)Cl>O.ClCCl.CCO[H].[OH-].[Na+].[Pd]>C(C)(C)(C)OC(=O)N1C[C@H](CC1)NC1=CC=C(C=C1)OC
3
C([N:8]([C@H:20]([CH2:32][OH:33])[CH2:21][C:22]1[CH:31]=[CH:30][C:25]([C:26]([O:28]C)=[O:27])=[CH:24][CH:23]=1)[CH2:9][C@H:10]([OH:19])[CH2:11][O:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)C1C=CC=CC=1>[OH-].[Na+].O1CCCC1.C(OCC)(=O)C>[OH:33][CH2:32][C@@H:20]([NH:8][CH2:9][C@H:10]([OH:19])[CH2:11][O:12][C:13]1[CH:...
2
[CH2:1]([O:8][C:9]1[C:18](=[O:19])[N:17]2[C:12]([C:13]([CH3:21])([CH3:20])[O:14][CH2:15][CH2:16]2)=[N:11][C:10]=1[C:22]([OH:24])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:25](Cl)(=[O:29])[C:26](Cl)=O.FC(F)(F)C(O)=O.[NH2:38][CH2:39][C:40]1C=[CH:46][C:45]([F:48])=[CH:44][C:41]=1C#N.C(N(CC)C(C)C)C>C(Cl)Cl.CN(C)C=O>[CH...
1
[ClH:1].[O:2](CCCNC(C)(C)CC1C=CC(OC)=CC=1)[C:3]1C=CC=C[CH:4]=1.Cl.[OH:26][CH:27]([CH2:42][O:43][C:44]1[CH:49]=[CH:48][C:47](C(C)(C)C)=[CH:46][CH:45]=1)[CH2:28][NH:29][C:30]([CH3:41])([CH3:40])[CH2:31][C:32]1[CH:37]=[CH:36][C:35]([O:38][CH3:39])=[CH:34][CH:33]=1.Cl.O[C@H](COC1C=CC(C(C)(C)C)=CC=1)CNC(C)(C)CC1C=CC(OC)=CC=...
1
COC1=C(C=C(C=C1)Br)OC(OC1=C(C=CC(=C1)Br)OC)=O>CO[H].[OH-].[Na+]>BrC1=CC(=C(C=C1)O)OC
3
ClC1=CC(=NC=N1)C1=NNC2=CC=C(C=C12)OC1(CC1)C.O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)CC1CCN(CC1)C(=O)C1CCNCC1)=O)=O>CS(=O)C.C(C)(C)N(C(C)C)CC>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)CC1CCN(CC1)C(=O)C1CCN(CC1)C1=NC=NC(=C1)C1=NNC2=CC=C(C=C12)OC1(CC1)C)=O)=O
3
NCCN1C(NC2(C1)CCN(CC2)C=2C=1N(C=CN2)C=NC1)=O.ClC=1C(=NC=C(C1)N1C[C@](CC1)(C1=CC=CC=C1)C)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC=1C(=NC=C(C1)N1CC(CC1)(C1=CC=CC=C1)C)C(=O)NCCN1C(NC2(C1)CCN(CC2)C=2C=1N(C=CN2)C=CN1)=O
3
CC1(OB(OC1(C)C)C1=CC2=C(N=C(S2)NC(=O)C2CC2)C=C1)C.BrC=1C=NC(=NC1)CO[C@H]1[C@@H](CC(C1)(F)F)O[Si](C)(C)C(C)(C)C>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>[Si](C)(C)(C(C)(C)C)O[C@H]1[C@@H](CC(C1)(F)F)OCC1=NC=C(C=N1)C1=CC2=C(N=C(S...
3
C(C)(C)(C)OC(=O)N1C(CCC1)C=1NC(=CN1)C1=CC2=CC=C(C=C2C=C1)C1=CC=C(C=C1)C=1NC(=NC1)C1N(CCC1)C(C(C1=CC=CC=C1)NC(=O)OC)=O.COC(=O)NC(C(=O)O)CC1CCOCC1>CO[H].ClCCl.Cl.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>COC(NC(C(=O)N1C(CCC1)C=1NC(=CN1)C1=CC2=CC=C(C=C2C=C1)C1=CC=C(C=C1)C=1NC(=NC1)C1N(CCC1...
3
[CH2:1]([O:8][C:9]1[C:16]([N:17]([CH3:19])[CH3:18])=[CH:15][CH:14]=[CH:13][C:10]=1[CH:11]=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)(=O)C.CC(O)=O.N.[N+:29]([CH3:32])([O-:31])=[O:30]>C(OCC)(=O)C>[CH2:1]([O:8][C:9]1[C:10](/[CH:11]=[CH:32]\[N+:29]([O-:31])=[O:30])=[CH:13][CH:14]=[CH:15][C:16]=1[N:17]([CH3:19])[CH3:18...
1
[N:1]1[CH:6]=[CH:5][C:4]([CH:7]=[O:8])=[CH:3][CH:2]=1.[CH2:9](O)[CH2:10][OH:11].C1(C)C=CC(S(O)(=O)=O)=CC=1.[OH-].[Na+]>C1C=CC=CC=1>[O:8]1[CH2:9][CH2:10][O:11][CH:7]1[C:4]1[CH:5]=[CH:6][N:1]=[CH:2][CH:3]=1
1
[Cl:1][C:2]1[CH:12]=[CH:11][C:5](/[CH:6]=[CH:7]/[C:8]([OH:10])=O)=[CH:4][C:3]=1[F:13].[NH:14]1[CH2:20][CH2:19][C:18](=[O:21])[NH:17][CH2:16][CH2:15]1>>[Cl:1][C:2]1[CH:12]=[CH:11][C:5](/[CH:6]=[CH:7]/[C:8]([N:14]2[CH2:20][CH2:19][C:18](=[O:21])[NH:17][CH2:16][CH2:15]2)=[O:10])=[CH:4][C:3]=1[F:13]
1
[CH2:1]([OH:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[SH:9][CH:10]([CH3:14])[C:11](O)=[O:12].C1(C)C=CC(S(O)(=O)=O)=CC=1>>[CH2:1]([O:8][C:11](=[O:12])[CH:10]([SH:9])[CH3:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
BrC1=C(N)C=CC=C1.BrCC(CCBr)O>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC>BrC1=C(C=CC=C1)N1CC(CC1)O
3
[H-].[Na+].[CH:3]1([CH2:8][OH:9])[CH2:7][CH2:6][CH2:5][CH2:4]1.Cl[C:11]1[C:16]([C:17]2[N:21]([CH2:22][CH:23]3[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]3)[C:20]3[CH:29]=[C:30]([F:34])[C:31]([F:33])=[CH:32][C:19]=3[N:18]=2)=[CH:15][CH:14]=[CH:13][N:12]=1>CN(C)C=O>[CH:23]1([CH2:22][N:21]2[C:20]3[CH:29]=[C:30]([F:34])[C:31](...
1
NO.COC(C=CC1=CC(=CC=C1)NC(CCCC1=CC=CC=C1)=O)=O>>ONC(\C=C\C1=CC(=CC=C1)NC(CCCC1=CC=CC=C1)=O)=O
5
C(C=C)(=O)[O-].[Na+].Cl[Si](OCC)(OCC)OCC>C1CCCO1>C(=O)(C=C)[Si](OCC)(OCC)OCC
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](B(O)O)=[CH:4][CH:3]=1.Cl[C:12]1[N:17]=[C:16]([NH2:18])[N:15]=[C:14]([NH:19][CH:20]2[CH2:23][CH2:22][CH2:21]2)[CH:13]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:12]2[N:17]=[C:16]([NH2:18])[N:15]=[C:14]([NH:19][CH:20]3[CH2:23][CH2:22][CH2:21]3)[CH:13]=2)=[CH:4][CH:3]=1
2
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][N:9]1[CH:13]=[C:12]([C:14]2[CH:19]=[C:18]([C:20]([NH2:22])=O)[CH:17]=[CH:16][N:15]=2)[N:11]=[CH:10]1.N1C=CC=CC=1.FC(F)(F)C(OC(=O)C(F)(F)F)=O.O>C(Cl)Cl>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][N:9]1[CH:13]=[C:12]([C:14]2[CH:19]=[C:18]([C:20]#[N:22])[CH:17]...
2
[CH2:1]([N:5]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([C:15]([OH:17])=O)[CH:13]=2)[N:8]([S:18]([CH3:21])(=[O:20])=[O:19])[CH2:7][CH2:6]1)[CH2:2][CH2:3][CH3:4].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C1C=CC2N(O)N=NC=2C=1.C(N(C(C)C)CC)(C)C.[NH2:65][C@@H:66]([CH2:80][C:81]1[CH:86]=[C:85]([F:87])[CH:84]=[C:83]([...
1
NC=1N(N=C2C(=CC=CC12)CC#N)C1=CC=CC=C1.FC1=C(C(=O)O)C=C(C(=C1)C(F)(F)F)C1=NN(C=C1)C>c1ccncc1.C([O-])([O-])=O.[K+].[K+].P(=O)(Cl)(Cl)Cl>C(#N)CC1=CC=CC2=C(N(N=C12)C1=CC=CC=C1)NC(C1=C(C=C(C(=C1)C1=NN(C=C1)C)C(F)(F)F)F)=O
3
[Mg].II.[CH3:4][C:5]1[CH:12]=[CH:11][C:8]([CH2:9]Cl)=[CH:7][CH:6]=1.[C:13](#N)[CH:14]([CH3:16])[CH3:15].Cl.C([O:21]CC)C>>[CH3:15][CH:14]([CH3:16])[C:13](=[O:21])[CH2:9][C:8]1[CH:11]=[CH:12][C:5]([CH3:4])=[CH:6][CH:7]=1
1
C(=O)C1=CC=C(C=C1)C=CC1=CC=NC2=CC=CC=C12>C(C)OCC.CO[H].[Na+].[BH4-]>OCC1=CC=C(C=C1)C=CC1=CC=NC2=CC=CC=C12
3
NC1=C(C=C(C#N)C=C1)Cl.ClC1=NC=2N(C(=C1C)N(C(OC(C)(C)C)=O)C1CC1)N=CC2C=O>>ClC=1C=C(C#N)C=CC1NC1=NC=2N(C(=C1C)NC1CC1)N=CC2C=O
5
[ClH:1].[NH2:2][C:3]1[S:4][C:5]2[CH2:6][CH2:7][N:8]([CH2:13]/[CH:14]=[CH:15]/[C:16]3[CH:21]=[CH:20][C:19]([C:22]#[N:23])=[CH:18][CH:17]=3)[CH2:9][CH2:10][C:11]=2[N:12]=1>C(O)C>[ClH:1].[ClH:1].[NH2:2][C:3]1[S:4][C:5]2[CH2:6][CH2:7][N:8]([CH2:13]/[CH:14]=[CH:15]/[C:16]3[CH:17]=[CH:18][C:19]([C:22]#[N:23])=[CH:20][CH:21]=...
1
N=1N(N=NC1)C1=C(C(=O)O)C=CC=C1.Cl.C[C@H]1N(C[C@@H](CC1)OC1=NC=CC(=C1)C(F)(F)F)C(=O)OC(C)(C)C>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C[C@@H]1CC[C@H](CN1C(=O)C1=C(C=CC=C1)N1N=CN=N1)OC1=NC=CC(=C1)C(F)(F)F
3
[Cl:1][C:2]1[CH:16]=[CH:15][C:5]([CH2:6][O:7][C:8]2[CH:13]=[CH:12][NH:11][C:10](=[O:14])[CH:9]=2)=[CH:4][CH:3]=1.Br[C:18]1[CH:19]=[CH:20][C:21]2[C:22]3[CH2:32][N:31]([C:33]([O:35][CH2:36][CH2:37][CH2:38][CH3:39])=[O:34])[CH2:30][CH2:29][CH2:28][C:23]=3[N:24]([CH3:27])[C:25]=2[CH:26]=1.OC1C=CC=C2C=1N=CC=C2.C([O-])([O-])...
2
COC=1C=C(C=CC1)S.C(C)OC(=O)C1(CCC1)Br>CCO[H].[OH-].[K+]>COC=1C=C(C=CC1)SC1(CCC1)C(=O)OCC
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[CH3:9])[NH2:5].N1C=CC=CC=1.Cl[C:17]([O:19][CH3:20])=[O:18]>C(Cl)(Cl)Cl>[CH3:20][O:19][C:17](=[O:18])[NH:5][C:4]1[CH:6]=[CH:7][C:8]([CH3:9])=[C:2]([Cl:1])[CH:3]=1
1
C([Li])CCC.[F:6][C:7]1[CH:8]=[C:9]([CH2:14][C:15]([O:17][CH3:18])=[O:16])[CH:10]=[C:11]([F:13])[CH:12]=1.[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([CH:26]([C:32]2[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=2)[N:27]2[CH2:30][C:29](=[O:31])[CH2:28]2)=[CH:22][CH:21]=1>CCCCCC.C1COCC1>[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([CH:26]...
1
[CH2:1]([C:5]1[N:6]=[C:7]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=2)[S:8][C:9]=1[CH2:10][CH2:11][OH:12])[CH2:2][CH2:3][CH3:4].[Cl:23][C:24]1[CH:31]=[C:30](O)[CH:29]=[CH:28][C:25]=1[C:26]#[N:27].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CCOC(/N=N/C(OCC)=O)=O>ClCCl>[CH2:1]([C:5]1[N:6]=[C:7]...
1
C(C1=CC=CC=C1)Br.[N+](=O)([O-])C=1C=C(C=CC1)O>>C(C1=CC=CC=C1)OC1=CC(=CC=C1)[N+](=O)[O-]
5
[C:1]([O:4][C@@H:5]1[CH2:21][C@H:20]2[C@@:8]([CH3:31])([C@@H:9]3[C@@H:17]([C@@H:18]([OH:23])[C@@H:19]2[OH:22])[C@H:16]2[C@@:12]([CH3:30])([C@@:13]([C:25]4[O:26][CH:27]=[CH:28][CH:29]=4)([OH:24])[CH2:14][CH2:15]2)[CH2:11][CH2:10]3)[CH2:7][CH2:6]1)(=[O:3])[CH3:2].C1COCC1.O.[BH4-].[Na+]>CC(C)=O>[C:1]([O:4][C@H:5]1[CH2:6][...
2
Cl[Si](CC[SiH](Cl)Cl)(Cl)Cl>>Cl[Si](CC[Si](C=C)(Cl)Cl)(Cl)Cl
5
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([N:14](C(OC(C)(C)C)=O)[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH:23]3[CH2:27][O:26]C(C)(C)O3)=[CH:17][N:16]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.C(OC(N1CCC(N(C(OC(C)(C)C)=O)C2C=CC(O)=CN=2)CC1)=O)(C)(C)C.BrCCCOC1CCCCO1.C(=O)([O-])[O-].[K+].[K+].Cl.ClC1C=CC(CN2CCC(NC3C=CC(C#N)=CC=3)CC2)=CC...
1
[NH2:1][C:2]1[C:3]([C:7]2[N:8]([C:16]3[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=3)[C:9]3[CH:14]=[CH:13][N:12]=[CH:11][C:10]=3[N:15]=2)=[N:4][O:5][N:6]=1.O[CH:24]1[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(...
2
[CH3:1][O-:2].[Na+].Cl[C:5]1[C:14]2[CH:15]=[C:16]([O:21][CH3:22])[C:17]([O:19][CH3:20])=[CH:18][C:13]=2[C:12]2[C:7](=[C:8]3[CH:27]=[CH:26][CH:25]=[CH:24][C:9]3=[N:10][C:11]=2Cl)[N:6]=1.[CH3:28][OH:29]>>[CH3:1][O:2][C:5]1[C:14]2[CH:15]=[C:16]([O:21][CH3:22])[C:17]([O:19][CH3:20])=[CH:18][C:13]=2[C:12]2[C:7](=[C:8]3[CH:2...
1
Cl[CH2:2][C:3]([C:5]1[S:6][CH:7]=[CH:8][N:9]=1)=[O:4].[BH4-].[Na+].Cl.C([O-])(O)=O.[Na+].[CH3:18][NH2:19].[Na+].[I-]>CO>[CH3:18][NH:19][CH2:2][CH:3]([C:5]1[S:6][CH:7]=[CH:8][N:9]=1)[OH:4]
2
C(C)[Si](CC)(CC)Cl.COCC1(C2=CC=CC=C2C=2C=CC=CC12)CO>>COCC1(C2=CC=CC=C2C=2C=CC=CC12)CO[Si](CC)(CC)CC
5
[Cl:1][C:2]1[CH:3]=[C:4](B(O)O)[CH:5]=[C:6]([Cl:10])[C:7]=1[O:8][CH3:9].Br[C:15]1[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:16]=1[C:23]1[CH:28]=[CH:27][C:26]([S:29]([NH2:32])(=[O:31])=[O:30])=[CH:25][CH:24]=1>>[Cl:1][C:2]1[CH:3]=[C:4]([C:15]2[CH:20]=[C:19]([F:21])[C:18]([F:22])=[CH:17][C:16]=2[C:23]2[CH:24]=[CH:25]...
1
FC(C=1C=C(C=CC1)B(O)O)(F)F.C(#N)C1=CC=C(C=C1)C1C(=C(NC=2N1C=CN2)C)C(=O)OCC>>C(#N)C1=CC=C(C=C1)C1C(=C(N(C=2N1C=CN2)C2=CC(=CC=C2)C(F)(F)F)C)C(=O)OCC
5
COC([C@H](CC1=CC2=CC=CC=C2C=C1)N)=O.C(C)(C)(C)OC(=O)N1[C@@H]([C@@H](CC1)N=[N+]=[N-])C(=O)O>ClCCl.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>N(=[N+]=[N-])[C@H]1[C@H](N(CC1)C(=O)OC(C)(C)C)C(N[C@H](C(=O)OC)CC1=CC2=CC=CC=C2C=C1)=O
3
B(Br)(Br)Br.[Cl:5][C:6]1[C:13]([Cl:14])=[C:12]([O:15]C)[C:11]([O:17]C)=[CH:10][C:7]=1[CH:8]=[O:9].O>C(Cl)Cl>[Cl:5][C:6]1[C:13]([Cl:14])=[C:12]([OH:15])[C:11]([OH:17])=[CH:10][C:7]=1[CH:8]=[O:9]
1
IC1=CC=2C(=NC=C(C2)NC(OC(C)(C)C)=O)N1S(=O)(=O)C1=CC=CC=C1>>IC1=CC=2C(=NC=C(C2)N)N1S(=O)(=O)C1=CC=CC=C1
5
[S-]C#N.[NH4+].[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.FC1=CC=C(NC)C=C1>CC(=O)C>FC1=CC=C(C=C1)N(C(=S)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O)C
3
[OH:1][C:2]1[C:7]2[S:8][C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=3[C:6]=2[S:5](=[O:16])(=[O:15])[N:4]([CH3:17])[C:3]=1[C:18]([O:20]CC1C=CC=CC=1)=O.[Cl:28][C:29]1[CH:35]=[CH:34][C:32]([NH2:33])=[CH:31][CH:30]=1>>[Cl:28][C:29]1[CH:35]=[CH:34][C:32]([NH:33][C:18]([C:3]2[N:4]([CH3:17])[S:5](=[O:16])(=[O:15])[C:6]3[C:10]4[...
1
[Br:1][C:2]1[NH:10][C:9]2[C:8](=[O:11])[N:7]([CH2:12][CH2:13][CH2:14][OH:15])[C:6](=[O:16])[N:5]([CH3:17])[C:4]=2[N:3]=1.Cl[CH2:19][C:20]1[S:21][C:22]([CH3:25])=[CH:23][N:24]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.CCCC[N+](CCCC)(CCCC)CCCC.[I-]>[Br:1][C:2]1[N:10]([CH2:19][C:20]2[S:21][C:22]([CH3:25])=[CH:23][N:24]=2)[C:9]...
1
C1COCCN1.ClC1=NC(=NC(=N1)NC=1N=CN(C1)C)NC(CNC(OC(C)(C)C)=O)C1=CC=C(C=C1)F>>FC1=CC=C(C=C1)C(CNC(OC(C)(C)C)=O)NC1=NC(=NC(=N1)NC=1N=CN(C1)C)N1CCOCC1
5
[CH2:1]([O:8][C:9]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]#[C:19][C:20]3[CH:25]=[CH:24][C:23]([CH2:26][C:27]([O:29]C)=[O:28])=[CH:22][CH:21]=3)=[CH:14][C:13]=2[CH3:31])[CH2:11][CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+]>C(O)C>[CH2:1]([O:8][C:9]1([C:12]2[CH:17]=[CH:16][C:15]([C:18]#[C:19][C:20]3[CH:21]=[...
1
C1(=CC=CC=C1)B(O)O.COC([C@@H](NC(=O)OC(C)(C)C)CC1=CNC=N1)=O>ClCCl.c1ccncc1.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CC=1N=CN(C1)C1=CC=CC=C1
3
ClC(C=O)C1(CC1)C=1C=C2C=CC=NC2=CC1.NC1=NC=C(C=N1)C1=CC(=C(C(=O)OC)C=C1)Cl>>ClC1=C(C(=O)OC)C=CC(=C1)C=1C=NC=2N(C1)C(=CN2)C2(CC2)C=2C=C1C=CC=NC1=CC2
5
[OH:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](O)=O.[C:11]([O-:14])([O-])=[O:12].[Cs+].[Cs+].CC(C)(C(=O)CC(=O)C(C)(C)C)C.Br[C:31]1[CH:32]=[C:33]2[C:37](=[CH:38][CH:39]=1)[N:36]([CH2:40][CH:41]([CH3:43])[CH3:42])[N:35]=[CH:34]2>CN1C(=O)CCC1.Cl[Cu]>[CH2:40]([N:36]1[C:37]2[C:33](=[CH:32][C:31]([O:1][C:2]3[CH:10]=[CH:...
1
O.C(C=O)(=O)O.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)SC1CC(N1)=O>C1CCCO1.ClCCl.CCN(CC)CC>C(C)N(CC)CC.C(=O)(O)C(O)N1C(CC1SC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O
3
C(C)(C)(C)C1=NN(C(=C1)CN)C1=CC(=CC=C1)Cl.FC1=CC=C(C(=O)NC2=CC=C(C=N2)C(C(=O)O)C)C=C1>>C(C)(C)(C)C1=NN(C(=C1)CNC(C(C)C=1C=CC(=NC1)NC(C1=CC=C(C=C1)F)=O)=O)C1=CC(=CC=C1)Cl
5
BrC=1C=CC=C2C(=NC(=NC12)C(C1=NC=C(C=C1)F)(F)F)SC>>FC(C1=NC2=C(C=CC=C2C(=N1)SC)NS(=O)(=O)C)(C1=NC=C(C=C1)F)F
5
[NH2:1][C@H:2]([C:4]([O:6][CH3:7])=[O:5])[CH3:3].Cl.[CH3:9][C:10]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][C:11]=1[S:17]([OH:20])(=[O:19])=[O:18]>C(OC)(=O)C>[CH3:9][C:10]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][C:11]=1[S:17]([OH:20])(=[O:19])=[O:18].[CH3:7][O:6][C:4](=[O:5])[C@H:2]([CH3:3])[NH2:1]
1
N1C2C(=CC=CC=2)C=CC=1.N1[C:19]2[C:14](=[C:15]([N:20]3[CH2:25][CH2:24][N:23]([CH2:26][C:27]4[CH:36]=[CH:35][C:34]5[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=5)[N:28]=4)[CH2:22][CH2:21]3)[CH:16]=[CH:17][CH:18]=2)C=C1.[O:37]1C2C=CC=C(N3CCNCC3)C=2[O:40][CH2:39][CH2:38]1>>[O:37]1[C:19]2[CH:18]=[CH:17][CH:16]=[C:15]([N:20]3[CH2:2...
2
N1C(=NC=C1)C1=CC=C(C=C1)N.CS(=O)(=O)O.NCC=1C=C2CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O>N(C)(C)C=O.O.C(C)(=O)OCC.C(=O)(C=1NC=CN1)C=1NC=CN1>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1)CNC(=O)NC1=CC=C(C=C1)C=1NC=CN1)=O)=O
3
C[O:2][C:3](=[O:20])[CH:4]([C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C@@H:13]2[CH2:17][CH2:16][CH2:15][C@@H:14]2[OH:18])=[C:8]([Cl:19])[CH:7]=1)[CH3:5].[OH-].[Na+].Cl>CO>[Cl:19][C:8]1[CH:7]=[C:6]([CH:4]([CH3:5])[C:3]([OH:20])=[O:2])[CH:11]=[CH:10][C:9]=1[CH2:12][C@@H:13]1[CH2:17][CH2:16][CH2:15][C@@H:14]1[OH:18]
1
ClC1=NC2=CC=C(C=C2C=C1)C.CC1=CC=CC(=N1)B(O)O>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC1=CC=CC(=N1)C1=NC2=CC=C(C=C2C=C1)C
3
N1=CC=C(C=C1)CCCO>ClCCl.[HH].C(C)(=O)O.[Pt](=O)=O>N1CCC(CC1)CCCO
3
C(C)(C)C1=CC=CC(=N1)C(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C)(C)C1=CC=CC(=N1)CO
3
C1(CCC1)=O.BrC1=NC(=CC=C1)Br>>BrC1=CC=CC(=N1)C1(CCC1)O
5
COC1=C(C2=CC=CC=C2C=C1)CC1=C(C=CC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1>>OC1=C(C2=CC=CC=C2C=C1)CC1=C(C=CC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1
5
NC1=C(C=C(C(=O)O)C=C1)F.C(C)(C)(C)NC(C1=CC(=CC=C1)CN1[C@@H](CNCC1)C)=O>ClCCl.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>NC1=C(C=C(C(=O)N2C[C@H](N(CC2)CC=2C=C(C(=O)NC(C)(C)C)C=CC2)C)C=C1)F
3
CC1=NC(=C(C(=C1C)NCCOCCCC=1C=NC=CC1)[N+](=O)[O-])OC1=CC=CC=C1>>CC=1C(=C(C(=NC1C)OC1=CC=CC=C1)N)NCCOCCCC=1C=NC=CC1
5
COC(CNC)OC.ClC(CO)C1=CC=CC=C1>ClCCl.[OH-].[Na+].FC(S(=O)(=O)O)(F)F>ClC1COC(C2=CC=CC=C12)CNC
3
[Cl:1][C:2]1[C:3]2[C:17]([C:18]#[C:19][Si:20]([CH3:23])([CH3:22])[CH3:21])=[CH:16][N:15]([CH2:24][C:25]3[C:30]([CH3:31])=[C:29]([O:32][CH3:33])[C:28]([CH3:34])=[CH:27][N:26]=3)[C:4]=2[N:5]=[C:6]([NH:8]C(=O)C(C)(C)C)[N:7]=1>[Cl-].[Cl-].[Zn+2]>[Cl:1][C:2]1[C:3]2[C:17]([C:18]#[C:19][Si:20]([CH3:22])([CH3:23])[CH3:21])=[CH...
1
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]([OH:12])[CH:10]=[CH2:11].[Cr](O[Cr]([O-])(=O)=O)([O-])(=O)=O.[K+].[K+].S(=O)(=O)(O)O>C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9](=[O:12])[CH:10]=[CH2:11]
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[N:11][C:12](Cl)=[CH:13][C:14]=2[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=2)=[CH:5][CH:4]=1.[C:24]([C:26]1[CH:27]=[C:28]([OH:32])[CH:29]=[CH:30][CH:31]=1)#[N:25]>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[N:11][C:12]([O:32][C:28]3[CH:29]=[CH:3...
1
[Si](C)(C)(C(C)(C)C)OC(CN1N=C2C(=C(C=C(C2=C1)Cl)Cl)Cl)C.[N+](=O)([O-])C1=C(C=O)C(=CC(=C1Cl)Cl)Cl>>NC(C#N)(CN1N=C2C(=C(C=C(C2=C1)Cl)Cl)Cl)C.ClC=1C2=CN(N=C2C(=C(C1)Cl)Cl)CC(C)=O.[Si](C)(C)(C(C)(C)C)OC(CNCC1=C(C(=C(C=C1Cl)Cl)Cl)[N+](=O)[O-])C
3
[CH2:1]([O:3][C:4](=[O:32])[C@H:5]([CH2:11][S:12][C:13]([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[NH:6][C:7](=[O:10])[CH2:8]Br)[CH3:2].C(N(CC)CC)C.[C:40]1([C:46]([C:57]2[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=2)([C:51]2[C...
1
FC1(CCN(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C1=NN=C(O1)NCC1=CC=C(C=C1)OC)S(=O)(=O)C1=CC=C(C)C=C1)F>C(=O)(C(F)(F)F)O.O1CCOCC1>FC1(CCN(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C1=NN=C(O1)N)S(=O)(=O)C1=CC=C(C)C=C1)F
3
CN(C(=O)C1=CC2=C(N=C(N=C2)NC2=NC=C(C=C2)N2CCNCC2)N1C1CCCC1)C>>CN(C(=O)C1=CC2=C(N=C(N=C2)NC2=NC=C(C=C2)N2CCN(CC2)C(C)C)N1C1CCCC1)C
5
ClCCCC(=O)C=1C=CC=2C3=CC(=CC=C3C3=CC=CC1C23)C(CCCCl)=O>C1CCCO1.[I-].[K+].C(C)NCC>Cl.Cl.C(C)N(CCCC(=O)C=1C=CC=2C3=CC(=CC=C3C3=CC=CC1C23)C(CCCN(CC)CC)=O)CC
3
BrC1=CC(=C(C=C1)C1=C(C=C(C=C1)Br)[N+](=O)[O-])OC>CCO[H].NN.[Ru]>BrC1=CC(=C(C=C1)C1=C(C=C(C=C1)Br)OC)N
3
[CH3:1][C@@:2]12[C:8]([CH3:10])([CH3:9])[C@@H:5]([CH2:6][CH2:7]1)[CH:4]([C:11](Cl)=[O:12])[C:3]2=O.C(N(CC)CC)C.C(O[C:27]([N:29](C)[NH:30][C:31]1[CH:40]=[CH:39][C:38]2[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH:32]=1)=O)(C)(C)C.Cl.O1CCOCC1>ClCCCl>[CH3:27][N:29]1[C:3]2[C@:2]3([CH3:1])[C:8]([CH3:10])([CH3:9])[C@@H:5]([CH2...
1
CC1=C(C(=CC=C1)C)S.N1CCCC2=CC=CC(=C12)O.C(C1=CC=CC=C1)N1CCOC(C1)C1=CC=C(C=C1)Br>N(C)(C)C=O.[Cu]Br.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)N1CC(OCC1)C1=CC=C(C=C1)SC1=C(C=CC=C1C)C
3
C(C)(C)(C)[Si](C)(C)Cl.BrCCCCCCCCCO>c1cnc[nH]1.ClCCl>BrCCCCCCCCCO[Si](C(C)(C)C)(C)C
3
[H-].[Na+].[C:3]([O:9][CH3:10])(=[O:8])[CH2:4][C:5]([CH3:7])=[O:6].C([Li])CCC.[F:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[C:32]3[C:31](=[O:33])[NH:30][C:29](=[O:34])[NH:28][C:27]=3[N:26]=[C:25]([CH:35]([CH3:37])[CH3:36])[C:24]=2/[CH:38]=[CH:39]/[CH:40]=[O:41])=[CH:19][CH:18]=1>>[F:16][C:17]1[CH:18]=[CH:19][C:20]([C:23]2...
1
ClC1=C(C#N)C=CC(=C1)C=1C=NC=C(C1C=O)F>>ClC1=C(C#N)C=CC(=C1)C=1C=NC=C(C1CO)F
5
[CH2:1]([C:8]1[CH2:9][S:10][C@@H:11]2[CH:22]([NH:23]C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[C:21](=[O:43])[N:12]2[C:13]=1[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>CC(C)=O>[CH2:1]([C:8]1[CH2:9][S:10][C@@H:11]2[CH:22]([NH2:23])[C:21](=[O:43...
1
ClC1=C(C=CC=C1)C1=NC2=C(C=CC=C2C(C1)=O)C(=O)O>O.S(O)(O)(=O)=O.C(CO)O>ClC1=C(C=CC=C1)C1=NC2=C(C=CC=C2C(C1)=O)C(=O)OCCO
3
[Cl:1][C:2]1[C:11]2[C:6](=[C:7]([CH3:12])[CH:8]=[CH:9][CH:10]=2)[C:5]([C:13]([OH:15])=O)=[CH:4][N:3]=1.[CH:16]12[CH2:22][CH:20]([O:21]1)[CH2:19][NH:18][CH2:17]2>>[CH:20]12[CH2:22][CH:16]([O:21]1)[CH2:17][N:18]([C:13]([C:5]1[C:6]3[C:11](=[CH:10][CH:9]=[CH:8][C:7]=3[CH3:12])[C:2]([Cl:1])=[N:3][CH:4]=1)=[O:15])[CH2:19]2
1
[C:1]([C:3]1[C:4]([C:17]([F:20])([F:19])[F:18])=[C:5]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH2:12][C:13](=[NH:16])[NH:14][OH:15])[CH:7]=[CH:6]2)#[N:2].[Cl:21][C:22]1[C:23]([F:32])=[C:24]([C:28]([F:31])=[CH:29][CH:30]=1)[C:25](O)=O>>[Cl:21][C:22]1[C:23]([F:32])=[C:24]([C:25]2[O:15][N:14]=[C:13]([CH2:12][N:8]3[C:9]4[C:5](=[C:4...
1
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH:10]([CH2:13][NH:14][C:15]2[C:20]([C:21]([OH:23])=O)=[CH:19][N:18]=[C:17](Cl)[N:16]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:25]1[CH:30]=[C:29]2[N:31]=[N:32][N:33]([OH:34])[C:28]2=[CH:27][CH:26]=1.O.C(Cl)CCl.[NH4+:40].[OH-]>CN(C=O)C.CCOC(C)=O.O>[N:33]1([O:34][C:17]2[N:16...
1