HRID1564509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID6483812

5-Isopropylisoxazole-3-carboxylic acid

C7H9NO3

HCID29919988

1-(2-Amino-3-chloro-4-methoxyphenyl)ethan-1-one

C9H10ClNO2

PRODUCTS

生成物

结构：COc1ccc(C(C)=O)c(NC(=O)c2cc(C(C)C)on2)c1Cl

HCID66650637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03589f4eb224463b9947489f96622a48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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