HRID182570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID17208

Benzyltriethylammonium

C13H22N+

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

HCID826703

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

C15H10Cl2N2S

PRODUCTS

生成物

结构：CN(C)CCCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1

HCID12947049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0036a171ff5c4523b9b591ee4ede484f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][CH3:42])[CH2:43][CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][Cl:35].[Cl-:36].[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.[ClH:28].[K+:22].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH-:21].[OH2:51]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11]([S:20][CH2:34][CH2:33][CH2:32][N:30]([CH3:29])[CH3:31])=[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