HRID208111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：N#Cc1ccc2c(cc(C3CC3)n2Cc2ccc(Br)o2)c1C(F)(F)F

HCID67404993

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2c(cc(C3CC3)n2Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1C(F)(F)F

HCID86620715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-518fd4490cad490d9cedcae34b9ed8da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH:23]3[CH2:24][CH2:25]3)[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)[o:6]1.[F:26][C:27]([c:28]1[cH:29][c:30]([B:38]([OH:39])[OH:40])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:41])[F:42]>>[c:2]1(-[c:30]2[cH:29][c:28]([C:27]([F:26])([F:41])[F:42])[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]2)[cH:3][cH:4][c:5]([CH2:7][n:8]2[c:9]([CH:23]3[CH2:24][CH2:25]3)[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)[o:6]1