HRID1549404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13851

Thiophene, 2-bromo-

C4H3BrS

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID3860639

4-Fluoro-2-methylbenzoic acid

C8H7FO2

HCID68976935

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1C(=O)NS(=O)(=O)C=Cc1cccs1

HCID68975995

4-Fluoro-2-methyl-N-[2-(thiophen-2-yl)ethenesulfonyl]benzamide

C14H12FNO3S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f67310629ddd4a858fde590b55c7fb2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:23][c:24]1[s:25][cH:26][cH:27][cH:28]1.[CH2:29]([N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38])[CH3:39].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:40][CH2:41][Cl:42].[F:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[s:12]1[c:13]([CH:17]=[CH:18][S:19](=[O:20])(=[O:21])[NH2:22])[cH:14][cH:15][cH:16]1>>[F:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([C:6](=[O:8])[NH:22][S:19]([CH:18]=[CH:17][c:13]2[s:12][cH:16][cH:15][cH:14]2)(=[O:20])=[O:21])[cH:9][cH:10]1