HRID122742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2763087

5-Methoxypyridine-3-boronic acid

C6H8BNO3

结构：CC(c1ccc(Br)cc1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=O

HCID90710797

未命名化合物

PRODUCTS

生成物

结构：COc1cncc(-c2ccc(C(C)N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)cc2)c1

HCID90905823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-817a01bfb46d4234b8f0e53351d4f1a2
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][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([CH2:16][CH2:17][CH2:18][OH:19])([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH3:28][O:29][c:30]1[cH:31][c:32]([B:36]([OH:37])[OH:38])[cH:33][n:34][cH:35]1>>[c:2]1(-[c:32]2[cH:31][c:30]([O:29][CH3:28])[cH:35][n:34][cH:33]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([CH2:16][CH2:17][CH2:18][OH:19])([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1