HRID300248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(OCC(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)cn1

HCID86589337

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc(C3=Nc4cc(OCC(F)(F)F)c(C(F)(F)F)cc4NC(=O)C3)c2)cn1

HCID22317970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a273ef676aa7430c9d1548afa3329246
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)=[O:43])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:28])[CH3:44].[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[N:7]1=[C:27]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][n:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)[CH2:26][C:25](=[O:43])[NH:24][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2