HRID700426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7449

3-Nitrobenzaldehyde

C7H5NO3

HCID8082

Piperidine

C5H11N

HCID53935748

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)NCC=Cc1ccccc1

HCID54271213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7a6de428cb142a5b47b655c9ca34122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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