HRID200252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(-n2cccc2)cc1

HCID67344178

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-n2cccc2)cc1

HCID57879346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71205e72b06b48cca2e4ac81206eff4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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