HRID173478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID518991

3,5-Bis(trifluoromethyl)-1H-pyrazole

C5H2F6N2

HCID67025425

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC1Cc2ccc(Cn3nc(C(F)(F)F)cc3C(F)(F)F)cc2C1

HCID75037487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-540f744ed7ba469b8096bafc5826e629
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

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