HRID313875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID622669

1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine

C14H21ClN2O

HCID826703

7-Chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione

C15H10Cl2N2S

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCCSC2=Nc3ccc(Cl)cc3C(c3ccccc3Cl)=NC2)CC1

HCID20324097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca6bb486279c4ec2bebe13865c14fc49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[S:20])[NH:12][c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[Cl:24][CH2:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]2)[CH2:32][CH2:33]1.[ClH:23].[H-:21].[Na+:22].[OH2:42]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11]([S:20][CH2:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)=[N:12][c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1