Dichloromethane → 5,5-Dimethyl-1-(5-fluoro-2-methylphenyl)piperazin-2-one

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 666457692,2-Dimethyl-4-(5-fluoro-2-methylphenyl)-5-oxopiperazine-1-carboxylic acid t-butyl ester

Product 1

HCID 666457455,5-Dimethyl-1-(5-fluoro-2-methylphenyl)piperazin-2-one

Sources & evidence

ORD record: ord-b9bf05f3186b43018acecb5ffb189c48
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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