HRID165203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734271

2,6-Difluorobenzenesulfonyl chloride

C6H3ClF2O2S

结构：CC(C)(C)c1nc(-c2cccc(N)c2F)c(-c2ccnc(Cl)n2)o1

HCID57989940

未命名化合物

结构：CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1

HCID57990030

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Cl)n2)o1

HCID57989681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9fa7553b77f45c1b0229762cdd05ede
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4](-[c:5]2[s:6][c:7]([CH:8]([CH3:9])[CH3:10])[n:11][c:12]2-[c:13]2[cH:14][c:15]([NH:16][S:23](=[O:24])(=[O:25])[c:26]3[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]3[F:32])[cH:17][cH:18][cH:19]2)[cH:20][cH:21][n:22]1.[Cl:34][c:35]1[n:36][cH:37][cH:38][c:39](-[c:41]2[c:42](-[c:50]3[c:51]([F:57])[c:52]([NH2:53])[cH:54][cH:55][cH:56]3)[n:43][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[o:45]2)[n:40]1.[F:58][c:59]1[cH:60][cH:61][cH:62][c:63]([F:64])[c:65]1[S:66]([Cl:67])(=[O:68])=[O:69]>>[S:23](=[O:24])(=[O:25])([c:26]1[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]1[F:32])[NH:53][c:52]1[c:51]([F:57])[c:50](-[c:42]2[c:41](-[c:39]3[cH:38][cH:37][n:36][c:35]([Cl:34])[n:40]3)[o:45][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[n:43]2)[cH:56][cH:55][cH:54]1