HRID2315293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID27099

Copper(2+)

Cu+2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID3870744

Methanesulfinate

CH3O2S-

结构：CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1

HCID44469803

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cc3c2cnn3-c2ccc(F)cc2)cc1

HCID58138778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-629e228c38ae4c74848c155945fd7ef7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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