Acetone → 1-Isopropyl-4-(4-nitrobenzyl)piperazine

HRID 133875Notes

Reaction equation

HRID 133875 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:27][C:28](=[O:29])[CH3:30].[CH:12]([CH3:13])([CH3:14])[N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[K+:25].[K+:26].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][Cl:9])[cH:10][cH:11]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][N:18]2[CH2:17][CH2:16][N:15]([CH:12]([CH3:13])[CH3:14])[CH2:20][CH2:19]2)[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 74824-Nitrobenzyl chlorideHCID 19660Carbonate IonHCID 780131-Isopropylpiperazine

Product 1

HCID 8826511-Isopropyl-4-(4-nitrobenzyl)piperazine

Sources & evidence

ORD record
ord-fd8ce525c1c64201b463b16f9585082b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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