HRID692752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID11557

Acetyl nitrate

C2H3NO4

结构：COc1ccc2cc(C(C)C(=O)OCC(C)(CO)[N+](=O)[O-])ccc2c1

HCID178487456

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(C(C)C(=O)OCC(C)(CO[N+](=O)[O-])[N+](=O)[O-])ccc2c1

HCID169493534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-447f2112b25f4515aad1850633b348ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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