HRID1137819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：COc1cc(-n2ccc3nc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC1CNC1

HCID24990792

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccc3nc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC1CN(C(C)=O)C1

HCID24990795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6abc93519cab4963805b2c1dc2d8ef06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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