HRID180503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID8375

2-Hydroxyacetophenone

C8H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID10729262

未命名化合物

PRODUCTS

产物

HCID66875460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e0cf85038f6d445696e117dfaf7b5967
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br-:38].[C:16](=[O:17])([O-:18])[O-:19].[CH3:34][C:35](=[O:36])[CH3:37].[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[Cl:1][c:2]1[c:3](=[O:15])[n:4]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][c:7]1[Cl:8].[I-:23].[K+:20].[K+:21].[K+:22].[OH:24][c:25]1[c:26]([C:31]([CH3:32])=[O:33])[cH:27][cH:28][cH:29][cH:30]1>>[Cl:1][c:2]1[c:3](=[O:15])[n:4]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][c:7]1[O:24][c:25]1[c:26]([C:31]([CH3:32])=[O:33])[cH:27][cH:28][cH:29][cH:30]1