HRID1544261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7487

4-Nitroacetophenone

C8H7NO3

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID28486

Lithium ion

Li+

HCID708093

2-Methoxynicotinic acid

C7H7NO3

HCID3280088

未命名化合物

PRODUCTS

生成物

结构：COc1ncccc1C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1

HCID66650187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27874ac82e434ec18bc5714d929297b0
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

[CH2:19]([O:20][C:21]([Cl:22])=[O:23])[CH3:24].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10][n:11]1.[CH3:37][Si:38]([N-:39][Si:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl-:47].[Li+:46].[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[NH4+:48].[OH2:60]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[CH2:35][C:34]([c:31]2[cH:30][cH:29][c:28]([N+:25](=[O:26])[O-:27])[cH:33][cH:32]2)=[O:36])[cH:8][cH:9][cH:10][n:11]1