HRID1235804

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

HCID44119538

[3-(tert-Butylsulfamoyl)phenyl]boronic acid

C10H16BNO4S

结构：CC(C)CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccccc1Cl

HCID67439155

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1cc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cs1)S(=O)(=O)c1ccccc1Cl

HCID25234323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d2a36c0d326414c80ef660ed1f99566
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:7][N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]2)[CH2:19][CH:20]([CH3:21])[CH3:22])[s:5][cH:6]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[NH:27][S:28](=[O:29])(=[O:30])[c:31]1[cH:32][c:33]([B:37]([OH:38])[OH:39])[cH:34][cH:35][cH:36]1.[C:40](=[O:41])([O-:42])[O-:43].[Na+:44].[Na+:45].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46]>>[c:2]1(-[c:33]2[cH:32][c:31]([S:28]([NH:27][C:23]([CH3:24])([CH3:25])[CH3:26])(=[O:29])=[O:30])[cH:36][cH:35][cH:34]2)[cH:3][c:4]([CH2:7][N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]2)[CH2:19][CH:20]([CH3:21])[CH3:22])[s:5][cH:6]1