HRID117837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID70334

4,5-Dichlorophthalic anhydride

C8H2Cl2O3

结构：CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C(F)(F)F)cc2N)cc1

HCID22339357

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1

HCID22339359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68ab10c757d94c198d1c0fb7ab148e44
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]([Cl:42])([Cl:43])[Cl:44].[Cl:28][c:29]1[cH:30][c:31]2[c:32]([cH:38][c:39]1[Cl:40])[C:33](=[O:34])[O:35][C:36]2=[O:37].[NH2:1][c:2]1[c:3]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:26][cH:27]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[NH:1]([c:2]1[c:3]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:26][cH:27]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)[C:33]([c:32]1[c:31]([C:36](=[O:35])[OH:37])[cH:30][c:29]([Cl:28])[c:39]([Cl:40])[cH:38]1)=[O:34]