HRID313904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID351065

Propylboronic acid

C3H9BO2

结构：CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)cc(Br)c2)cc1

HCID68561614

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(Cl)cc(C(=O)N(CCc2cccc(C(F)(F)F)c2)Cc2ccc(C(C)(C)C)cc2)c1

HCID68559834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e31e6cf4fa7472281ee24e24bb53721
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]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:31][c:32]([Cl:34])[cH:33]1.[CH2:35]([CH2:36][CH3:37])[B:38]([OH:39])[OH:40]>>[c:2]1([CH2:35][CH2:36][CH3:37])[cH:3][c:4]([C:5](=[O:6])[N:7]([CH2:8][CH2:9][c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:25][cH:26]2)[cH:31][c:32]([Cl:34])[cH:33]1