HRID2158601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：O=C(NC(Cc1ccc(O)c(O)c1)C(=O)O)OCc1ccccc1

HCID14852806

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)OCc1ccccc1

HCID178447582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0597699d43d4241ac49524541a8f518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:32])[Cl:33].[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]([C:13](=[O:14])[OH:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([OH:21])[c:22]([OH:23])[cH:24]1.[CH2:36]([O:37][CH2:38][CH3:39])[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:34].[Na+:26].[OH-:25].[OH2:35]>>[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]([C:13](=[O:14])[O:15][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:16][c:17]1[cH:18][cH:19][c:20]([OH:21])[c:22]([OH:23])[cH:24]1