HRID186569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1

HCID53398528

2-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propan-2-ol

C14H22BNO3

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

HCID59620078

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21

HCID59619610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5619fd54a592493d986e18e615cfd01a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][c:36]([C:40]([CH3:41])([CH3:42])[OH:43])[cH:37][n:38][cH:39]2)[O:44]1>>[c:2]1(-[c:34]2[cH:35][c:36]([C:40]([CH3:41])([CH3:42])[OH:43])[cH:37][n:38][cH:39]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]([CH3:25])[c:13](=[O:24])[n:14]3-[c:15]1[c:16]([CH3:23])[n:17][n:18]([CH:20]([CH3:21])[CH3:22])[cH:19]1