HRID203340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID541

4-Nitrobenzaldehyde

C7H5NO3

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C

HCID178430372

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1

HCID23506946

tert-Butyl 4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate

C16H23N3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe1f84b128524f50bd91a79c2b0c4b43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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