HRID182544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8635

Methyl 2-aminobenzoate

C8H9NO2

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

HCID68390

2-Propenoic acid, 3-(3-nitrophenyl)-

C9H7NO4

PRODUCTS

生成物

结构：COC(=O)c1ccccc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1

HCID692363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77293734a969458891fdda7047ca2c06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:20]([c:21]1[c:22]([NH2:23])[cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[O:29][CH3:30].[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[S:38]([Cl:39])([Cl:40])=[O:41]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[CH:8][C:9](=[O:11])[NH:23][c:22]2[c:21]([C:20](=[O:28])[O:29][CH3:30])[cH:27][cH:26][cH:25][cH:24]2)[cH:12][cH:13][cH:14]1