HRID690138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID57637401

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1ccc2cc(C3(C)OCCO3)ccc21

HCID57637304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e270de3ce7240658e4a33b94575aca4
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

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