Dimethyl Sulfoxide → Tert-butyl 3-methyl-4-(4-nitrophenyl)piperazine-1-carboxylate

Reaction equation

[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][NH:7]1.[CH3:32][S:33](=[O:34])[CH3:35].[F:15][c:16]1[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]1.[K+:29].[K+:30].[OH2:31]>>[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][N:7]1[c:16]1[cH:17][cH:18][c:19]([N+:22](=[O:23])[O-:24])[cH:20][cH:21]1

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 813Potassium Cation2×

HCID 962Water

HCID 9590p-Fluoronitrobenzene

HCID 19660Carbonate Ion

HCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylate

Product 1

HCID 22633044Tert-butyl 3-methyl-4-(4-nitrophenyl)piperazine-1-carboxylate

Sources & evidence

ORD record: ord-f222c0d7770146819059ecdd8d3edd61
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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