HRID1202748

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：CCCN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccncc3)c2)cc1C(F)(F)F

HCID86589280

未命名化合物

PRODUCTS

生成物

结构：CCCN(C)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccncc3)c1)=N2

HCID22317577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-836397e5a48f4d3c9bee0c13a6fe9c4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:23][C:24]([CH2:25][C:26](=[O:5])[c:27]2[cH:28][c:29](-[c:33]3[cH:34][cH:35][n:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)=[O:40])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[cH:13]1)([CH3:6])([CH3:39])[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:26]([c:27]2[cH:28][c:29](-[c:33]3[cH:34][cH:35][n:36][cH:37][cH:38]3)[cH:30][cH:31][cH:32]2)[CH2:25][C:24](=[O:40])[NH:23][c:9]2[c:8]1[cH:13][c:12]([N:14]([CH2:15][CH2:16][CH3:17])[CH3:18])[c:11]([C:19]([F:20])([F:21])[F:22])[cH:10]2