HRID1575380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID49760410

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

C12H17BClNO3

HCID68483082

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3ccc(NC4CCCC(O)C4)cn23)cc(Cl)n1

HCID86644339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8846e9066b1240d3bcae3094736df2bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([NH:11][CH:12]1[CH2:13][CH:14]([OH:18])[CH2:15][CH2:16][CH2:17]1)[cH:9][cH:10]2.[C:37](=[O:38])([O-:39])[O-:40].[Cl:19][c:20]1[n:21][c:22]([O:35][CH3:36])[cH:23][c:24]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:25]1.[Na+:41].[Na+:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49]>>[c:2]1(-[c:24]2[cH:23][c:22]([O:35][CH3:36])[n:21][c:20]([Cl:19])[cH:25]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([NH:11][CH:12]1[CH2:13][CH:14]([OH:18])[CH2:15][CH2:16][CH2:17]1)[cH:9][cH:10]2