HRID2315056

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：CCc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3)c2)cc1C(F)(F)F

HCID86589375

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2

HCID22317536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7619e84aac4d4c14b8bbc1228e3ba0ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:37])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH2:14][CH3:15])[cH:13]1)([CH3:6])([CH3:36])[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:23]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:22][C:21](=[O:37])[NH:20][c:9]2[c:8]1[cH:13][c:12]([CH2:14][CH3:15])[c:11]([C:16]([F:17])([F:18])[F:19])[cH:10]2