HRID1126022

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：CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccc(CC)nc3)c2)cc1C(F)(F)F

HCID86589356

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccc(CC)nc3)c1)=N2

HCID22318025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c68c54f15a34446909b05f71aa49cc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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