HRID1204167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(CNC(=O)c3cc(Cl)ccc3OC)cc2)cc1

HCID21418525

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccc(OC(C)(C)C(=O)O)cc2)cc1

HCID21418529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b4fcc8b830df4731b83373276485298c
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

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