HRID2152997

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：Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C)c(C(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)ccn1

HCID86589277

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C3=Nc4cc(C(F)(F)F)c(C)cc4NC(=O)C3)c2)ccn1

HCID11373203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05dc135f1af542bdb04cd19364ea294d
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:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:37])[cH:10][c:11]([CH3:18])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]1)([CH3:6])([CH3:23])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:37])[NH:19][c:9]2[c:8]1[cH:13][c:12]([C:14]([F:15])([F:16])[F:17])[c:11]([CH3:18])[cH:10]2