HRID314850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID46738764

(6-Oxo-1,6-dihydropyridin-3-yl)boronic acid

C5H6BNO3

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(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178435805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8030d9d627e846c9bfff2ba644ddba0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[C:38](=[O:39])([O-:40])[O-:41].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[Cs+:42].[Cs+:43].[O:28]=[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][nH:34]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29](=[O:28])[nH: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]([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