HRID99707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21

HCID59619739

未命名化合物

结构：COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1OC(C)C

HCID59619884

2-Methoxy-3-(1-methylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H24BNO4

PRODUCTS

生成物

结构：COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC(C)C

HCID59620003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ed0ea3a03574d12a33357a822f813a5
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:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:23])[c:13](=[O:22])[n:14]3-[c:15]1[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]1.[CH:24]([CH3:25])([CH3:26])[O:27][c:28]1[c:29]([O:43][CH3:44])[n:30][cH:31][c:32]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:33]1>>[c:2]1(-[c:32]2[cH:31][n:30][c:29]([O:43][CH3:44])[c:28]([O:27][CH:24]([CH3:25])[CH3:26])[cH:33]2)[cH:3][c:4]2[c:5]3[c:6]([cH:7][n:8][c:9]2[cH:10][cH:11]1)[n:12]([CH3:23])[c:13](=[O:22])[n:14]3-[c:15]1[c:16]([CH3:21])[n:17][n:18]([CH3:20])[cH:19]1