Hydrochloric Acid → 1-(2-fluoro-4-nitrophenyl)piperazine

HRID 285806Notes

Reaction equation

HRID 285806 reaction equation
[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[CH3:6].[C:8]([O:9][C:10](=[O:11])[N:15]1[CH2:16][CH2:17][N:18]([c:21]2[c:22]([F:30])[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]2)[CH2:19][CH2:20]1)([CH3:12])([CH3:13])[CH3:14].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[ClH:7].[Na+:31].[OH:32][C:33](=[O:34])[O-:35]>>[NH:15]1[CH2:16][CH2:17][N:18]([c:21]2[c:22]([F:30])[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]2)[CH2:19][CH2:20]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl Acetate2×HCID 16203508tert-Butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate

Product 1

HCID 27830661-(2-fluoro-4-nitrophenyl)piperazine

Sources & evidence

ORD record
ord-38d02815f5974c8397f4d6f978707d7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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