HRID1240320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID5758

2,6-Dichlorobenzoic acid

C7H4Cl2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID19424418

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1C(=O)N(COC(=O)c2c(Cl)cccc2Cl)S(=O)(=O)N1C

HCID19424407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-719bb711c5fb4d65bc584237f830bef9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:37].[C:26](=[O:27])([O-:28])[O-:29].[CH3:38][CH2:39][CH2:40][CH2:41][N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[Cl:1][CH2:2][N:3]1[S:4](=[O:13])(=[O:14])[N:5]([CH3:12])[CH:6]([CH:9]([CH3:10])[CH3:11])[C:7]1=[O:8].[K+:30].[K+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH:15][C:16](=[O:17])[c:18]1[c:19]([Cl:20])[cH:21][cH:22][cH:23][c:24]1[Cl:25]>>[CH2:2]([N:3]1[S:4](=[O:13])(=[O:14])[N:5]([CH3:12])[CH:6]([CH:9]([CH3:10])[CH3:11])[C:7]1=[O:8])[O:17][C:16](=[O:15])[c:18]1[c:19]([Cl:20])[cH:21][cH:22][cH:23][c:24]1[Cl:25]