HRID811954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8134

Diethylene glycol monomethyl ether

C5H12O3

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(CO)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)O

HCID178459053

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOC(=O)C(C)(CO)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1

HCID178496256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4abd6c182bff444f83832072a4f03dbf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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