HRID2320362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6367

Acetyl chloride

C2H3ClO

HCID19660

Carbonate

CO3-2

结构：CCC(=NOCc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID86604011

未命名化合物

PRODUCTS

生成物

结构：CCC(=NOCc1ccc(Cl)cc1)c1cc(Cl)ccc1N(C(C)=O)S(=O)(=O)C(F)(F)F

HCID76839251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d1ffa21e00343bfad1613ffecfc5094
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

[CH3:35][C:36]([Cl:37])=[O:38].[CH3:39][C:40](=[O:41])[CH3:42].[Cl:1][c:2]1[cH:3][c:4]([C:16]([CH2:17][CH3:18])=[N:19][O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:5]([NH:8][S:9](=[O:10])(=[O:11])[C:12]([F:13])([F:14])[F:15])[cH:6][cH:7]1.[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34]>>[Cl:1][c:2]1[cH:3][c:4]([C:16]([CH2:17][CH3:18])=[N:19][O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[c:5]([N:8]([S:9](=[O:10])(=[O:11])[C:12]([F:13])([F:14])[F:15])[C:36]([CH3:35])=[O:38])[cH:6][cH:7]1