Acetone → 1-Methyl-4-(3-nitrobenzyl)piperazine

HRID 87589

Reaction equation

HRID 87589 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:12][N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH3:25][C:26](=[O:27])[CH3:28].[K+:23].[K+:24].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH2:7][Cl:8])[cH:9][cH:10][cH:11]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH2:7][N:16]2[CH2:15][CH2:14][N:13]([CH3:12])[CH2:18][CH2:17]2)[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 12078alpha-Chloro-m-nitrotolueneHCID 19660Carbonate IonHCID 531671-Methylpiperazine

Product 1

HCID 13771091-Methyl-4-(3-nitrobenzyl)piperazine

Sources & evidence

ORD record
ord-b6837a3c453c44478da561cd0c4086c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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