HRID938643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31374

Dimethylacetamide

C4H9NO

HCID88246

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-

C6H8ClNO

HCID104967

Cesium(1+)

Cs+

2 次

结构：CS(=O)(=O)c1cccc(-c2ccc(CNS(=O)(=O)c3ccccc3C(F)(F)F)s2)c1

HCID67440497

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1C(F)(F)F

HCID25234248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f70bbe4011774b938ca96deacf4eb88d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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