HRID666983

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)N1CCC(C)(c2nc(-c3cccc(N)c3F)c(-c3ccnc(Cl)n3)s2)CC1

HCID57989723

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(Cl)n3)s2)CC1

HCID57989633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f129a724655447eaf17929982eae8f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[F:35][c:36]1[c:37]([S:43](=[O:44])(=[O:45])[Cl:46])[c:38]([F:42])[cH:39][cH:40][cH:41]1.[NH2:1][c:2]1[c:3]([F:34])[c:4](-[c:8]2[n:9][c:10]([C:20]3([CH3:33])[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]3)[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:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[NH:1]([c:2]1[c:3]([F:34])[c:4](-[c:8]2[n:9][c:10]([C:20]3([CH3:33])[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]3)[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:43]([c:37]1[c:36]([F:35])[cH:41][cH:40][cH:39][c:38]1[F:42])(=[O:44])=[O:45]