HRID1153011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID102624

1-Benzyl-3-ethoxycarbonyl-4-piperidone

C15H19NO3

PRODUCTS

产物

HCID22038236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a2d6402fb63b43a18041cdb9c1b53512
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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