Dichloromethane → 1-(2-Chloro-5-fluorophenyl)-5,5-dimethylpiperazin-2-one

HRID 1143270Notes

Reaction equation

HRID 1143270 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]([Cl: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]([Cl:29])[cH:24][cH:25][c:26]([F:28])[cH:27]2)[C:19](=[O:21])[CH2:20]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 666454974-(2-Chloro-5-fluorophenyl)-2,2-dimethyl-5-oxopiperazine-1-carboxylic acid t-butyl ester

Product 1

HCID 666453991-(2-Chloro-5-fluorophenyl)-5,5-dimethylpiperazin-2-one

Sources & evidence

ORD record
ord-895d418f98164047bd716c01adb513df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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