Acetonitrile → tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate

HRID 663544Notes

Reaction equation

HRID 663544 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:25][C:26]#[N:27].[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[N:22]1[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 1230531,2-Difluoro-4-nitrobenzeneHCID 143452tert-Butyl piperazine-1-carboxylate

Product 1

HCID 16203508tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-6742d49febaa4bd295846cdd38cea5f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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