HRID1571538

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)ccc2n1Cc1cccc(Br)c1

HCID67405035

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID86620704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef3e0b0c19d648e8ae3f2bf3001703c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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