HRID99448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45785773

2-(Cyclopentyloxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H24BNO3

结构：CC(c1ccc(Br)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID66869825

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cccc(OC3CCCC3)n2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178435761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfba53c20f84436d84595ae733577ef0
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]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH:28]1([O:33][c:34]2[n:35][c:36]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:37][cH:38][cH:39]2)[CH2:29][CH2:30][CH2:31][CH2:32]1>>[c:2]1(-[c:36]2[n:35][c:34]([O:33][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:39][cH:38][cH:37]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:27])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[CH2:14][CH2:15]2)[cH:6][cH:7]1