HRID321836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2773810

5-(chloromethyl)-2-(trifluoromethyl)pyridine

C7H5ClF3N

结构：CSc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n[nH]c(=O)n12

HCID58772833

未命名化合物

PRODUCTS

生成物

结构：CSc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)c2nn(Cc3ccc(C(F)(F)F)nc3)c(=O)n12

HCID15953704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dcd6424120f4686bc3c0a6507b55e61
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

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