HRID1219909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID21897021

未命名化合物

HCID21897030

1-(3-Hydroxypiperidin-1-yl)ethan-1-one

C7H13NO2

PRODUCTS

产物

HCID11598328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cd78f3662e1c48e1a0dccedea9806085
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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