HRID120911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

12 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID12305

2-Chloroethyl chloroformate

C3H4Cl2O2

HCID43026

2-(4-Aminophenyl)propanoic acid

C9H11NO2

PRODUCTS

生成物

HCID18423575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f59a1fa33ab42e5a93dd61a945b396d
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

[CH:41]([O:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:13][CH2:14][CH2:15][O:16][C:17](=[O:18])[Cl:19].[Cl:48][CH2:49][Cl:50].[ClH:40].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[OH:11])[CH3:12])[cH:6][cH:7]1.[Na+:37].[Na+:38].[Na+:39].[OH2:20].[OH2:21].[OH2:22].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[P:32]([O-:33])([O-:34])([O-:35])=[O:36]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[OH:11])[CH3:12])[cH:6][cH:7]1)[C:17]([O:16][CH2:15][CH2:14][Cl:13])=[O:18]