HRID691846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID104727

Aluminum Cation

Al+3

结构：Cc1cc2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23114054

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1c(C)c(NC(=O)CC(C)(C)C)c(C)c2c1OCC2c1ccc(C(C)C)cc1

HCID11430127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f851a38d362487780f40cbea380ab5b
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

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