Acetone → tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate

HRID 125804Notes

Reaction equation

HRID 125804 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12]2([O:13][CH2:19][C:16]([CH3:17])([CH3:18])[CH2:15][O:14]2)[CH2:20][CH2:21]1)=[O:22].[CH3:40][C:41](=[O:42])[CH3:43].[OH2:44].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([O-:29])(=[O:30])=[O:31])[cH:32][cH:33]1.[nH+:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][C:12](=[O:13])[CH2:20][CH2:21]1)=[O:22]

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 66891864(3,3-Dimethyl-1,5-dioxa-spiro[5,5]undec-9-yl)-methyl-carbamic acid tert-butyl ester

Product 1

HCID 24820328tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate

Sources & evidence

ORD record
ord-15ffb6b805f6494ea60496dab82e58bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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