HRID170130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID81882

Butyl hydroxyacetate

C6H12O3

结构：Cn1c(C(F)(F)F)cnc(-c2cc([N+](=O)[O-])c(F)cc2F)c1=O

HCID19365487

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)COc1cc(F)c(-c2ncc(C(F)(F)F)n(C)c2=O)cc1[N+](=O)[O-]

HCID19365496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b064b41cbe2e4597b7c9e0b2ee85018c
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:26]([CH2:27][OH:28])(=[O:29])[O:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[F-:24].[F:1][c:2]1[c:3](-[c:12]2[c:13](=[O:23])[n:14]([CH3:22])[c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][n:17]2)[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1.[K+:25].[OH2:35]>>[F:1][c:2]1[c:3](-[c:12]2[c:13](=[O:23])[n:14]([CH3:22])[c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][n:17]2)[cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([O:28][CH2:27][C:26](=[O:29])[O:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:7]1