HRID2140804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81292

2-Methoxybenzylamine

C8H11NO

结构：CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(=O)Cl)cc21

HCID20074887

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2

HCID20074846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fddb9fd388ed48d49809c91e6cdaaee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:37]([Cl:38])[Cl:39].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH2:6])[cH:7][cH:8][cH:9][cH:10]1.[ClH:11].[N:12]1([CH2:17][CH:18]([CH3:19])[N:20]2[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[S:27][c:28]3[cH:29][cH:30][c:31]([C:34](=[O:35])[Cl:36])[cH:32][c:33]32)[CH2:13][CH2:14][CH2:15][CH2:16]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:34]([c:31]2[cH:30][cH:29][c:28]3[c:33]([cH:32]2)[N:20]([CH:18]([CH2:17][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH3:19])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[S:27]3)=[O:35])[cH:7][cH:8][cH:9][cH:10]1