HRID301641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID7449

3-Nitrobenzaldehyde

C7H5NO3

HCID8082

Piperidine

C5H11N

结构：CC(=O)CC(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID11740518

2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 3-oxobutanoate

C23H28N2O3

PRODUCTS

生成物

结构：CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID54110130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5ea0717649a479abd204a54ddec2036
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:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH2:19][CH2:20][N:21]1[CH2:22][CH2:23][N:24]([CH:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH2:25][CH2:26]1.[CH2:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][cH:11]1.[OH2:52].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[C:13]([C:12](=[O:17])[O:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][N:24]([CH:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:25][CH2:26]2)[C:14](=[O:15])[CH3:16])[cH:9][cH:10][cH:11]1