HRID298178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734258

3-Fluorobenzenesulfonyl chloride

C6H4ClFO2S

结构：CC(C)(C)c1nc(-c2c(F)ccc(N)c2F)c(-c2ccnc(Cl)n2)s1

HCID57989911

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(-c2c(F)ccc(NS(=O)(=O)c3cccc(F)c3)c2F)c(-c2ccnc(Cl)n2)s1

HCID57989835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f233a8d0861e4260b9cc622d61880d59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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:17]([c:18]3[c:19]([F:20])[cH:21][cH:22][cH:23][c:24]3[F:25])(=[O:26])=[O:27])[cH:28][cH:29][cH:30]2)[cH:31][cH:32][n:33]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:58])[c:52]([NH2:57])[cH:53][cH:54][c:55]3[F:56])[n:43][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[s:45]2)[n:40]1.[F:59][c:60]1[cH:61][c:62]([S:66](=[O:67])(=[O:68])[Cl:69])[cH:63][cH:64][cH:65]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:58])[c:52]([NH:57][S:66]([c:62]4[cH:61][c:60]([F:59])[cH:65][cH:64][cH:63]4)(=[O:67])=[O:68])[cH:53][cH:54][c:55]3[F:56])[n:43][c:44]([C:46]([CH3:47])([CH3:48])[CH3:49])[s:45]2)[n:40]1