HRID2312825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID8471

Triethylamine

C6H15N

HCID9796194

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccc1)N1CC2SCCC(c3ccccc3)(c3ccccc3)C2C1

HCID67745329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ca2bf465ac6486ab8289ab1e6a80577
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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