HRID316064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：Cc1cc(Br)cc(C)c1C(=O)N1CCC(N2CCCC2CO)CC1

HCID66901578

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C)c1C(=O)N1CCC(N2CCCC2CO)CC1

HCID76610485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab8e7f7ffa1e4df0a68cde7101aaaafc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:24])[c:5]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH:18]([CH2:22][OH:23])[CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[c:6]([CH3:8])[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]([CH3:24])[c:5]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([N:17]3[CH:18]([CH2:22][OH:23])[CH2:19][CH2:20][CH2:21]3)[CH2:15][CH2:16]2)[c:6]([CH3:8])[cH:7]1