HRID97891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID15723

Azacyclonol

C18H21NO

HCID30165

Iodide ion

I-

HCID12709484

5-Chloro-1-(4-methoxyphenyl)pentan-1-one

C12H15ClO2

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID21552947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7bd71b32ee4f4a90b3ca91fd28881906
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:36](=[O:37])([OH:38])[O-:39].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]1.[I-:42].[K+:40].[K+:41].[OH2:50].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:21].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[c:28]3[cH:29][cH:30][c:31]([O:34][CH3:35])[cH:32][cH:33]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1