HRID109878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID94714

2-Butenoic acid, 4-oxo-4-phenyl-

C10H8O3

HCID418040

未命名化合物

PRODUCTS

生成物

结构：CC(NC(CC(=O)c1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O

HCID178464188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2d1401fdbea4502bf758f1d6d62d567
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)(=[O:22])[CH:23]=[CH:24][C:25](=[O:26])[OH:27].[C:28](=[O:29])([OH:30])[O-:31].[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:39][OH:40].[ClH:1].[NH2:2][CH:3]([CH3:4])[C:5](=[O:6])[N:7]1[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH2:13][CH2:14]1.[Na+:32].[OH2:41]>>[NH:2]([CH:3]([CH3:4])[C:5](=[O:6])[N:7]1[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH2:13][CH2:14]1)[CH:24]([CH2:23][C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22])[C:25](=[O:26])[OH:27]