HRID99111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID564216

Pyridine, 2-bromo-5-methyl-

C6H6BrN

结构：Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1B(O)O)OCC2c1ccc(C(C)C)cc1

HCID23114225

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)nc1

HCID23114319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e276e5334984f8caf00fabfd129d5db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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