HRID1541672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID28179

Fluoride

F-

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID78934

Benzaldehyde, 2-hydroxy-3-nitro-

C7H5NO4

PRODUCTS

生成物

结构：COc1ccc(COc2c(C=O)cccc2[N+](=O)[O-])cc1

HCID23124641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90e1061ce15d4de491a5849f8ab6a1e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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