HRID2156036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID136286

5-Fluoro-2-methylbenzenesulphonyl chloride

C7H6ClFO2S

结构：CC(C)(C)c1nc(-c2cccc(N)c2F)c(-c2ccnc(N)n2)s1

HCID57989709

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：Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(N)n2)c1F

HCID57989896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1f3f28696ae4ba89d754735650d819c
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

[CH3:58][c:59]1[c:60]([S:66](=[O:67])(=[O:68])[Cl:69])[cH:61][c:62]([F:65])[cH:63][cH:64]1.[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.[NH2:34][c:35]1[c:36]([F:57])[c:37](-[c:41]2[n:42][c:43]([C:53]([CH3:54])([CH3:55])[CH3:56])[s:44][c:45]2-[c:46]2[n:47][c:48]([NH2:52])[n:49][cH:50][cH:51]2)[cH:38][cH:39][cH:40]1>>[NH:34]([c:35]1[c:36]([F:57])[c:37](-[c:41]2[n:42][c:43]([C:53]([CH3:54])([CH3:55])[CH3:56])[s:44][c:45]2-[c:46]2[n:47][c:48]([NH2:52])[n:49][cH:50][cH:51]2)[cH:38][cH:39][cH:40]1)[S:66]([c:60]1[c:59]([CH3:58])[cH:64][cH:63][c:62]([F:65])[cH:61]1)(=[O:67])=[O:68]