4-Nitrobenzaldehyde → 3,5-Dimethyl-1-[(4-nitrophenyl)methyl]piperazine

HRID 1561389Notes

Reaction equation

HRID 1561389 reaction equation
[CH3:12][CH:13]1[NH:14][CH:15]([CH3:19])[CH2:16][NH:17][CH2:18]1.[CH3:20][CH:21]1[CH2:22][N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([N+:29]([O-:30])=[O:31])[cH:32][cH:33]2)[CH2:34][CH2:35][N:36]1[C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:10][cH:11]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][N:17]2[CH2:16][CH:15]([CH3:19])[NH:14][CH:13]([CH3:12])[CH2:18]2)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 5414-NitrobenzaldehydeHCID 660562,6-DimethylpiperazineHCID 178430372tert-butyl 2-methyl-4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate

Product 1

HCID 638627783,5-Dimethyl-1-[(4-nitrophenyl)methyl]piperazine

Sources & evidence

ORD record
ord-26faa7e84f6e473eaa3a434541e79abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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