HRID310463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID12215

未命名化合物

结构：CC(C)(C)OC(=O)c1ccc(C=O)c([N+](=O)[O-])c1

HCID86588379

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(=Cc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-])C(=O)OC

HCID69978038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c2087d157d449897057ffb9cc7f8c3
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:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([c:42]1[cH:43][c:44]([N+:50](=[O:51])[O-:52])[c:45]([CH:48]=[O:49])[cH:46][cH:47]1)=[O:53].[C:58]([O:59][CH2:60][CH3:61])(=[O:62])[CH3:63].[CH3:20][O:21][C:22](=[O:23])[CH:24]=[CH:25][C:26](=[O:27])[O:28][CH3:29].[CH3:54][C:55](=[O:56])[OH:57].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:20][O:21][C:22](=[O:23])[C:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])=[CH:48][c:45]1[c:44]([N+:50](=[O:51])[O-:52])[cH:43][c:42]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:53])[cH:47][cH:46]1