HRID304106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81119

Diethyl 2-phenylethylmalonate

C15H20O4

HCID166653

Hydride

H-

结构：Cc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)CBr

HCID21985688

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccccc1)(CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C)C(=O)OCC

HCID21985780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fd5d8a1926c4d4cb0c601c9f0c4a6a9
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

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