HRID158937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4192664

2-Methylpyridine-4-boronic acid

C6H8BNO2

结构：CC(=O)N(C)CCCC1(c2ccccc2)CCN(C(C)c2ccc(Br)cc2)C(=O)O1

HCID72344441

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)CCCC1(c2ccccc2)CCN(C(C)c2ccc(-c3ccnc(C)c3)cc2)C(=O)O1

HCID178474730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7e2357934984f9d848bcca041837699
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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