Acetonitrile → 3,5-Dimethyl-1-(4-nitrophenyl)piperazine

HRID 1541124Notes

Reaction equation

HRID 1541124 reaction equation
[CH3:11][CH:12]1[NH:13][CH:14]([CH3:18])[CH2:15][NH:16][CH2:17]1.[CH3:19][CH2:20][O:21][C:22]([CH3:23])=[O:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:31][C:32]#[N:33].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([F:10])[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:16]2[CH2:15][CH:14]([CH3:18])[NH:13][CH:12]([CH3:11])[CH2:17]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8058HexaneHCID 8857Ethyl AcetateHCID 9590p-FluoronitrobenzeneHCID 660562,6-Dimethylpiperazine

Product 1

HCID 28296203,5-Dimethyl-1-(4-nitrophenyl)piperazine

Sources & evidence

ORD record
ord-365a40e795c7431598f4005bee883ad7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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