HRID137697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734310

3-Acetylphenylboronic acid

C8H9BO3

结构：Cc1c(Br)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23113867

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)c1

HCID23114181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33bf5d03c5064e9cb8d9ac9cd8a212b8
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[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1.[C:30]([CH3:31])(=[O:32])[c:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1>>[c:2]1(-[c:35]2[cH:34][c:33]([C:30]([CH3:31])=[O:32])[cH:38][cH:37][cH:36]2)[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1