HRID188544

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)C#N)(c2ccccc2)OC1=O

HCID72344323

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID91526156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dda3f0d9f8948a9ad7c95a910400a8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:28])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[Cs+:43].[Cs+:44].[O:29]=[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][nH:35]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30](=[O:29])[nH:35][cH:34]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[C:11](=[O:28])[O:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([CH2:22][C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[CH2:14][CH2:15]2)[cH:6][cH:7]1