HRID286567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID74810

Benzoyl chloride, 2,6-dimethoxy-

C9H9ClO3

HCID104727

Aluminum Cation

Al+3

HCID850941

6-Methoxy-2-(4-methoxyphenyl)benzo(b)thiophene

C16H14O2S

PRODUCTS

生成物

结构：COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2c(OC)cccc2OC)cc1

HCID15411218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83efd4fdd0f84885a82129356c196883
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Al+3:34].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]3[c:12]([s:13]2)[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]3)[cH:7][cH:8]1.[CH3:20][O:21][c:22]1[c:23]([C:24](=[O:25])[Cl:26])[c:27]([O:31][CH3:32])[cH:28][cH:29][cH:30]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl-:33].[Cl-:35].[Cl-:36].[Cl:38][CH2:39][Cl:40].[OH2:37]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:24]([c:23]3[c:22]([O:21][CH3:20])[cH:30][cH:29][cH:28][c:27]3[O:31][CH3:32])=[O:25])[c:11]3[c:12]([s:13]2)[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]3)[cH:7][cH:8]1