HRID91706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734657

4-Acetamidophenylboronic acid

C8H10BNO3

结构：Brc1nc(Nc2ccc(N3CCOCC3)cc2)nc2[nH]ccc12

HCID57991309

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]ccc23)cc1

HCID57990878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ef07b22cb4144af9f088d9e481ca72e
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[c:3]2[c:4]([n:5][c:6]([NH:8][c:9]3[cH:10][cH:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[cH:13][cH:14]3)[n:7]1)[nH:21][cH:22][cH:23]2.[C:24]([CH3:25])(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Na+:41].[Na+:42]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([NH:27][C:24]([CH3:25])=[O:26])[cH:33][cH:32]2)[c:3]2[c:4]([n:5][c:6]([NH:8][c:9]3[cH:10][cH:11][c:12]([N:15]4[CH2:16][CH2:17][O:18][CH2:19][CH2:20]4)[cH:13][cH:14]3)[n:7]1)[nH:21][cH:22][cH:23]2