HRID301135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID2734271

2,6-Difluorobenzenesulfonyl chloride

C6H3ClF2O2S

结构：CC(C)(C)OC(=O)NC(C)(C)c1nc(-c2cccc(N)c2F)c(-c2ccnc(Cl)n2)s1

HCID57989936

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Cl)n2)s1

HCID57990025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e79dce58a1c6475c932da51e1683decc
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

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