HRID2141577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID302679

2-Fluoro-4-nitrobenzoic acid

C7H4FNO4

HCID17868293

未命名化合物

PRODUCTS

生成物

结构：CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C

HCID86663428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe29a079054841e49ef090bd85d4802e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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