HRID960464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID28179

Fluoride

F-

HCID3015370

2-(3,4-Dimethoxyphenyl)-5-oxo-2-(propan-2-yl)pentanenitrile

C16H21NO3

HCID10036050

Benzene, 1,2-dimethoxy-4-(2-nitroethyl)-

C10H13NO4

PRODUCTS

生成物

结构：COc1ccc(CC(C(O)CCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)[N+](=O)[O-])cc1OC

HCID13745754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd746c8a79994f8593d1fd1e2dd76e15
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

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