Chloride → Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

HRID 186655Notes

Reaction equation

HRID 186655 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[O:14])[NH:11][CH2:12][CH2:13]1.[C:22]([O:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36].[CH3:39][I:40].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl-:42].[H-:37].[Na+:38].[Na+:41].[O:15]=[C:16]1[CH2:17][NH:18][CH2:19][CH2:20][NH:21]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[O:14])[N:11]([CH3:16])[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 90495Di-tert-butyl dicarbonateHCID 166653HydrideHCID 231360Piperazin-2-oneHCID 3157178Tert-butyl 3-oxopiperazine-1-carboxylate

Product 1

HCID 18783916Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

Sources & evidence

ORD record
ord-8e2ccef1276045a290cc3519413318f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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