HRID151006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID4186341

未命名化合物

HCID24730135

6-(3-Chlorophenyl)pyridine-2-carboxylic acid

C12H8ClNO2

PRODUCTS

生成物

结构：COC(=O)C(C)(C)NC(=O)c1cccc(-c2cccc(Cl)c2)n1

HCID71087931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae1eabcff1f4497aacac4c7cd23d4030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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