HRID2325700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

结构：CCOC(=O)c1cc2cc(C(CC)(CC)c3ccc(OCC(=O)C(C)(C)C)c(C)c3)ccc2s1

HCID57835396

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(C(CC)(CC)c3ccc(OCC4(C(C)(C)C)OCCO4)c(C)c3)ccc2s1

HCID57835408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32bddcacb7e84c858f43ee65f4615da7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([s:10]1)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH3:17])([CH2:18][CH3:19])[c:20]1[cH:21][c:22]([CH3:34])[c:23]([O:26][CH2:27][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:24][cH:25]1)[cH:14]2.[OH:35][CH2:36][CH2:37][OH:38]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([s:10]1)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH3:17])([CH2:18][CH3:19])[c:20]1[cH:21][c:22]([CH3:34])[c:23]([O:26][CH2:27][C:28]3([C:29]([CH3:30])([CH3:31])[CH3:32])[O:33][CH2:37][CH2:36][O:35]3)[cH:24][cH:25]1)[cH:14]2