HRID2332903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2761197

5-Bromo-2-(trifluoromethyl)pyridine

C6H3BrF3N

结构：Oc1cc2[nH]c(-c3cnccn3)nc2cc1Oc1ccccc1F

HCID135697984

未命名化合物

PRODUCTS

生成物

结构：Fc1ccccc1Oc1cc2nc(-c3cnccn3)[nH]c2cc1Oc1ccc(C(F)(F)F)nc1

HCID23145778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaab25e9928545edb9d2165e908011fa
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

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