HRID2347635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID13133986

未命名化合物

HCID19800125

4-Benzyl-1H-indole

C15H13N

PRODUCTS

生成物

结构：CCOC(=O)C(C(COC)c1c[nH]c2cccc(Cc3ccccc3)c12)[N+](=O)[O-]

HCID54118721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e08f2114bf64058ac6d0432e1029118
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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