HRID2129262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8058

n-Hexane

C6H14

HCID8082

Piperidine

C5H11N

HCID73219

3,5-Di-tert-butyl-4-hydroxybenzaldehyde

C15H22O2

HCID77337

2-Nitrophenylacetic acid

C8H7NO4

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C=Cc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O

HCID54141749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e45285689c24498a3013ffe2757b40f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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