HRID1224102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID19660

Carbonate

CO3-2

HCID75737

(+/-)-Phenylalanine methyl ester

C10H13NO2

HCID107296

benzyl N-(2,5-dioxooxolan-3-yl)carbamate

C12H11NO5

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1

HCID118092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-770ccf68c1584e8daf4e29f19e8fad43
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][C:14](=[O:15])[O:16][C:17]1=[O:18].[CH3:24][O:25][C:26]([CH:27]([NH2:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[CH3:44][C:45](=[O:46])[OH:47].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:43].[S:19]([OH:20])([OH:21])(=[O:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14](=[O:15])[OH:16])[C:17](=[O:18])[NH:28][CH:27]([C:26]([O:25][CH3:24])=[O:36])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1