HRID90842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COCN(c1cc(Cl)cnc1C(=O)c1ccccc1N)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942208

未命名化合物

PRODUCTS

生成物

结构：COCN(c1cc(Cl)cnc1C(=O)c1ccccc1NS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID66648950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aec400b6922e46b4a560de2bf25bd905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[ClH:40].[F-:41].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:30])[cH:10][c:11]2[N:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:27][O:28][CH3:29])[cH:31][cH:32][cH:33][cH:34]1.[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:30])[cH:10][c:11]2[N:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:27][O:28][CH3:29])[cH:31][cH:32][cH:33][cH:34]1)[S:36]([CH3:35])(=[O:38])=[O:39]