Acetonitrile → 3-Fluoro-4-(4-ethyl-3-oxopiperazin-1-yl)nitrobenzene

HRID 935719Notes

Reaction equation

HRID 935719 reaction equation
[CH2:1]([CH3:2])[N:3]1[C:4](=[O:9])[CH2:5][NH:6][CH2:7][CH2:8]1.[CH3:46][C:47]#[N:48].[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:19][c:20]1[cH:21][c:22]([N+:27](=[O:28])[O-:29])[cH:23][cH:24][c:25]1[F:26].[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36]>>[CH2:1]([CH3:2])[N:3]1[C:4](=[O:9])[CH2:5][N:6]([c:25]2[c:20]([F:19])[cH:21][c:22]([N+:27](=[O:28])[O-:29])[cH:23][cH:24]2)[CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 81531Diisopropylethylamine2×HCID 1230531,2-Difluoro-4-nitrobenzeneHCID 98773661-Ethylpiperazin-2-one

Product 1

HCID 187839123-Fluoro-4-(4-ethyl-3-oxopiperazin-1-yl)nitrobenzene

Sources & evidence

ORD record
ord-98c55f9040444ad88beb2883cfa92547
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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