HRID139397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

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：Cc1c(Br)ccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID66901730

未命名化合物

PRODUCTS

生成物

结构：Cc1c(S(C)(=O)=O)ccc2c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID66901632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75bf1c69cd724423b1a7c82d22178db6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:33]1[CH3:34])[N:7]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]1)[CH2:8][c:9]1[c:10]([n:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1)[NH:11]2.[CH3:35][S:36](=[O:37])[O-:38].[CH3:40][NH:41][CH2:42][CH2:43][NH:44][CH3:45].[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cu+2:70].[Na+:39].[S:62]([O-:63])([C:64]([F:65])([F:66])[F:67])(=[O:68])=[O:69].[S:71]([O-:72])([C:73]([F:74])([F:75])[F:76])(=[O:77])=[O:78].[cH:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[c:2]1([S:36]([CH3:35])(=[O:37])=[O:38])[cH:3][cH:4][c:5]2[c:6]([c:33]1[CH3:34])[N:7]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]1)[CH2:8][c:9]1[c:10]([n:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1)[NH:11]2