HRID683821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID61668

Boronic acid

H3BO2

HCID77783

p-Isopropylanisole

C10H14O

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F

HCID86626908

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1cc(OC)c(C(F)(F)F)cc1[N+](=O)[O-]

HCID66603107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18b4835589444cd0a83411b8cd392225
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH:24]([OH:25])[OH:26].[C:38](=[O:39])([O-:40])[O-:41].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:1][O:2][c:3]1[c:4]([C:20]([F:21])([F:22])[F:23])[cH:5][c:6]([N+:17](=[O:18])[O-:19])[c:7]([O:9][S:10]([C:11]([F:12])([F:13])[F:14])(=[O:15])=[O:16])[cH:8]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:27]([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]1.[Cs+:42].[Cs+:43]>>[CH3:1][O:2][c:3]1[c:4]([C:20]([F:21])([F:22])[F:23])[cH:5][c:6]([N+:17](=[O:18])[O-:19])[c:7](-[c:34]2[c:33]([O:36][CH3:37])[cH:32][cH:31][c:30]([CH:27]([CH3:28])[CH3:29])[cH:35]2)[cH:8]1