HRID682810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6386

tert-Butyl alcohol

C4H10O

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

HCID4574913

未命名化合物

结构：CC(=O)C(CCc1ccc(Cl)cc1)C(=O)OC(C)(C)C

HCID19073714

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(CCc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)C(=O)OC(C)(C)C

HCID19073679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de3415d501384ef9a11a0de23175fe17
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

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