HRID1239922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736319

3,5-dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3S

HCID67244915

未命名化合物

结构：C=CCc1cc(C(C)NS(=O)(=O)c2ccc(F)c(F)c2)ccc1-c1cc(F)ccc1OC

HCID67245690

未命名化合物

PRODUCTS

生成物

HCID21864776

未命名化合物

HCID178494200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12d4b7bd540749efa58545fbe8782550
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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