HRID159227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID73895

Benzene, 1-fluoro-2-nitro-

C6H4FNO2

HCID3297195

N-alpha-Boc-DL-diaminopropionic acid

C8H16N2O4

HCID86757756

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(CNc1ccccc1[N+](=O)[O-])(N=C=O)C(=O)O

HCID86757755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a9dbbd314e1440a8d9ffb284e8a9b50
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:17](=[O:18])([O-:19])[O-:20].[C:47].[F:23][c:24]1[c:25]([N+:30](=[O:31])[O-:32])[cH:26][cH:27][cH:28][cH:29]1.[H:15][H:16].[K+:21].[K+:22].[NH2:1][CH2:2][CH:3]([NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[C:12]([OH:13])=[O:14].[NH2:33][CH2:34][C:35]([C:36](=[O:37])[OH:38])([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[N:44]=[C:45]=[O:46].[Pd:48]>>[c:24]1([NH:33][CH2:34][C:35]([C:36](=[O:37])[OH:38])([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[N:44]=[C:45]=[O:46])[c:25]([N+:30](=[O:31])[O-:32])[cH:26][cH:27][cH:28][cH:29]1