HRID294409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：Cc1nc2ccc(CN)cc2c(=O)n1C1CCC(=O)NC1=O

HCID25235732

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2c(=O)n1C1CCC(=O)NC1=O

HCID25235777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79cd352a14ef4afabb9b058bba2c7264
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:14]([n:15]1[cH:16][cH:17][n:18][cH:19]1)([n:20]1[cH:21][cH:22][n:23][cH:24]1)=[O:25].[ClH:26].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11]1)([F:12])[F:13].[NH2:27][CH2:28][c:29]1[cH:30][c:31]2[c:32](=[O:48])[n:33]([CH:40]3[C:41](=[O:47])[NH:42][C:43](=[O:46])[CH2:44][CH2:45]3)[c:34]([CH3:39])[n:35][c:36]2[cH:37][cH:38]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:8])[NH:27][CH2:28][c:29]2[cH:30][c:31]3[c:32](=[O:48])[n:33]([CH:40]4[C:41](=[O:47])[NH:42][C:43](=[O:46])[CH2:44][CH2:45]4)[c:34]([CH3:39])[n:35][c:36]3[cH:37][cH:38]2)[cH:9][cH:10][cH:11]1)([F:12])[F:13]