HRID291194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID68324

Propanedioic acid, bis(1,1-dimethylethyl) ester

C11H20O4

HCID166653

Hydride

H-

HCID68487133

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(Oc2ccccc2)c1F

HCID68488235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16c129a2a78f4a9c9343382a28c61079
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

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