HRID2349679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID31275

1,4-Dioxane

C4H8O2

HCID59859951

N-(5-Bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzene-1-sulfonamide

C12H9BrF2N2O3S

HCID66782308

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID25167777

GSK-2126458

C25H17F2N5O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fba3716416b540ebad2f78981e7efd6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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