HRID2140306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31231

1-(4-Methoxyphenyl)-2-propanone

C10H12O2

HCID521187

(4-Fluorophenyl)acetone

C9H9FO

HCID85861732

未命名化合物

结构：COc1ccc(-c2sc(NC(C)=O)nc2C)cc1S(N)(=O)=O

HCID86598407

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(-c2ccc(F)c(S(N)(=O)=O)c2)s1

HCID85861686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-459597ffc1974f58a77af42c0a3e048a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:27][O:28][c:29]1[c:30]([S:45]([NH2:46])(=[O:47])=[O:48])[cH:31][c:32](-[c:35]2[c:36]([CH3:44])[n:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[s:39]2)[cH:33][cH:34]1.[CH3:49][O:50][c:51]1[cH:52][cH:53][c:54]([CH2:55][C:56](=[O:57])[CH3:58])[cH:59][cH:60]1.[F:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][C:18](=[O:19])[CH3:20])[cH:21][c:22]1[S:23]([Cl:24])(=[O:25])=[O:26].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][C:7](=[O:8])[CH3:9])[cH:10][cH:11]1>>[F:1][c:29]1[c:30]([S:45]([NH2:46])(=[O:47])=[O:48])[cH:31][c:32](-[c:35]2[c:36]([CH3:44])[n:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[s:39]2)[cH:33][cH:34]1