HRID137750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1csc(Br)n1

HCID67404358

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1csc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

HCID86620698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa37424c15e54f35ad8a0bf1540cf1dd
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

[Br:1][c:2]1[s:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH3:23])[cH:10][c:11]3[c:12]([C:19]([F:20])([F:21])[F:22])[c:13]([C:17]#[N:18])[cH:14][cH:15][c:16]23)[n:6]1.[F:24][C:25]([c:26]1[cH:27][c:28]([B:36]([OH:37])[OH:38])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:39])[F:40]>>[c:2]1(-[c:28]2[cH:27][c:26]([C:25]([F:24])([F:39])[F:40])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29]2)[s:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH3:23])[cH:10][c:11]3[c:12]([C:19]([F:20])([F:21])[F:22])[c:13]([C:17]#[N:18])[cH:14][cH:15][c:16]23)[n:6]1