HRID698502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID817237

5-Bromo-2-ethoxypyridine

C7H8BrNO

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2CN(CC)C(=O)OC(C)(C)C)c1

HCID58149092

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(-c3ccc(OCC)nc3)cc2CN(CC)C(=O)OC(C)(C)C)c1

HCID58149276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2260d70e53c04bca9ed2a6d67ef84ce0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:41][c:42]1[cH:43][cH:44][c:45]([O:48][CH2:49][CH3:50])[n:46][cH:47]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:29][N:30]([CH2:31][CH3:32])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:16][c:17]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:40]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:29][N:30]([CH2:31][CH3:32])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:16][c:17](-[c:42]3[cH:43][cH:44][c:45]([O:48][CH2:49][CH3:50])[n:46][cH:47]3)[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:40]