HRID313714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COC(=O)c1c(Cl)cc(Cl)cc1OS(=O)(=O)C(F)(F)F

HCID21075880

未命名化合物

HCID21075887

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc(C(C)NS(=O)C(C)(C)C)c(F)c1

HCID178498357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2a5fbe3e7a643b387cb1a931ff5208f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([CH:8]([CH3:9])[NH:10][S:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[n:6][cH:7]1.[CH3:19][C:20](=[O:21])[O-:22].[Cl:34][c:35]1[c:36]([C:37](=[O:38])[O:39][CH3:40])[c:41]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[cH:42][c:43]([Cl:45])[cH:44]1.[K+:18].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:23][O:24][C:25]([c:26]1[cH:27][c:28]([Cl:29])[cH:30][cH:31][cH:32]1)=[O:33]>>[c:2]1(-[c:41]2[c:36]([C:37](=[O:38])[O:39][CH3:40])[c:35]([Cl:34])[cH:44][c:43]([Cl:45])[cH:42]2)[cH:3][c:4]([F:17])[c:5]([CH:8]([CH3:9])[NH:10][S:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[n:6][cH:7]1