HRID820648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID2736319

3,5-dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3S

结构：CC(=O)N1c2ccc(NC(=O)c3ccccc3O)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962902

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)c3ccccc3OS(=O)(=O)c3c(C)noc3C)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69230eeee5dc4d66b9b379b78baccc5f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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