HRID102488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID6375

Nitromethane

CH3NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OCc1ccccc1

HCID4450951

未命名化合物

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)C[N+](=O)[O-])C(=O)OCc1ccccc1

HCID76541419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc12aa24705b4d86a6e4f5a5a543afe0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:24]([n:25]1[cH:26][cH:27][n:28][cH:29]1)([n:30]1[cH:31][cH:32][n:33][cH:34]1)=[O:35].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][C:12](=[O:13])[OH:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[ClH:46].[K+:45].[N+:36](=[O:37])([O-:38])[CH3:39].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([CH2:11][C:12](=[O:14])[CH2:39][N+:36](=[O:37])[O-:38])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]