HRID150643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2735763

3-(chloromethyl)-5-methylisoxazole

C5H6ClNO

结构：CC(C)(C)OC(=O)NS(=O)(=O)c1cccc2c1OCO2

HCID86593017

未命名化合物

PRODUCTS

生成物

HCID9312

Isoxazole, 3,5-dimethyl-

C5H7NO

HCID86593017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f4b0ef483db42f8862824968fa008b5
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:21](=[O:22])([O-:23])[O-:24].[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH2:1]1[O:2][c:3]2[c:4]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:5][cH:6][cH:7][c:8]2[O:9]1.[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cl:27][CH2:28][c:29]1[n:30][o:31][c:32]([CH3:34])[cH:33]1.[Cs+:25].[Cs+:26].[I-:36].[K+:35]>>[CH2:1]1[O:2][c:3]2[c:4]([S:10](=[O:11])(=[O:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:5][cH:6][cH:7][c:8]2[O:9]1.[CH3:28][c:29]1[n:30][o:31][c:32]([CH3:34])[cH:33]1