HRID832827

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

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID3870744

Methanesulfinate

CH3O2S-

结构：CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(Br)c1

HCID44480597

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1

HCID44480600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b071f98266a4d42ac101cec6746aea2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1.[CH3:28][S:29](=[O:30])[O-:31].[CH3:33][S:34]([CH3:35])=[O:36].[CH3:37][NH:38][CH2:39][CH2:40][NH:41][CH3:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cu+2:57].[Na+:32].[S:49]([O-:50])([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56].[S:58]([O-:59])([C:60]([F:61])([F:62])[F:63])(=[O:64])=[O:65]>>[c:2]1([S:29]([CH3:28])(=[O:30])=[O:31])[cH:3][c:4]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17][n:18](-[c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[c:19]2[CH3:20])[cH:5][n:6][cH:7]1