HRID173221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID57843334

N-(5-Bromopyridin-3-yl)cyclopropanesulfonamide

C8H9BrN2O2S

结构：COc1ccccc1S(=O)(=O)N1CCN(c2cnc3ccc(Br)cc3n2)CC1

HCID68501552

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1S(=O)(=O)N1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)C5CC5)c4)cc3n2)CC1

HCID57843433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5ed587dda4742a5a979032dad990176
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:34].[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]4[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1.[Br:35][c:36]1[cH:37][c:38]([NH:42][S:43](=[O:44])(=[O:45])[CH:46]2[CH2:47][CH2:48]2)[cH:39][n:40][cH:41]1.[C:49](=[O:50])([O-:51])[O-:52].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:30][C:31](=[O:32])[O-:33].[K+:29].[K+:53].[K+:54]>>[c:2]1(-[c:36]2[cH:37][c:38]([NH:42][S:43](=[O:44])(=[O:45])[CH:46]3[CH2:47][CH2:48]3)[cH:39][n:40][cH:41]2)[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]4[c:22]([O:27][CH3:28])[cH:23][cH:24][cH:25][cH:26]4)[CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1