HRID195691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17750192

2-[(Propan-2-yl)oxy]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C14H22BNO3

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(Br)cc1-2

HCID53234974

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ncccc1-c1ccc2c(c1)-c1nc(-c3ncnn3C(C)C)sc1CCO2

HCID58203791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bbdf2ec0f1046b4ab9c0db876e31c1b
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][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[CH:24]([CH3:25])([CH3:26])[O:27][c:28]1[n:29][cH:30][cH:31][cH:32][c:33]1[B:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]1>>[c:2]1(-[c:33]2[c:28]([O:27][CH:24]([CH3:25])[CH3:26])[n:29][cH:30][cH:31][cH:32]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2