HRID140365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6375

Nitromethane

CH3NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID10219612

未命名化合物

HCID58160327

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1c2cc(Cl)ccc2Oc2ccccc2C1C[N+](=O)[O-]

HCID66860014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-447f56941be74ed2b5f252db7a52111e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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