HRID2141514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CNC(=O)c1nc(Br)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID66738659

未命名化合物

HCID66738661

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1nc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID24890140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b7269da41064175bd2889e552b70382
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:23])[n:4](-[c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[c:5](=[O:12])[c:6]([C:8](=[O:9])[NH:10][CH3:11])[n:7]1.[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29](-[n:32]2[n:33][cH:34][cH:35][c:36]2[B:37]([OH:38])[OH:39])[cH:30][cH:31]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cs+:44].[Cs+:45]>>[c:2]1(-[c:36]2[n:32](-[c:29]3[cH:28][cH:27][c:26]([C:24]#[N:25])[cH:31][cH:30]3)[n:33][cH:34][cH:35]2)[c:3]([CH3:23])[n:4](-[c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[c:5](=[O:12])[c:6]([C:8](=[O:9])[NH:10][CH3:11])[n:7]1