HRID284809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

反应SMILES：CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC

HCID256065

Diethyl [(4-nitrophenyl)methyl]phosphonate

C11H16NO5P

HCID5062348

未命名化合物

反应SMILES：CCOP(=O)(OCC)C(C)(C)c1ccc([N+](=O)[O-])cc1

HCID58292877

未命名化合物

PRODUCTS

产物

反应SMILES：CCOP(=O)(OCC)C(C)c1ccc([N+](=O)[O-])cc1

HCID58292996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8829092acd89450f85fabfebc5b41146
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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