HRID696049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C(=O)N2c3ccccc3C(Nc3ccc(Cl)cc3C)CC2C)cc1

HCID77551737

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3C)CC2C)cc1

HCID69469986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd780c8ece6402c8504103758d448b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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