Chloride → 2-Acetyl-2-[2-(tert-butoxycarbonyl)ethyl]cyclohexanone

HRID 1557819Notes

Reaction equation

HRID 1557819 reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[C:17]([CH:18]=[CH2:19])(=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[C:1]([CH3:2])(=[O:3])[CH:4]1[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1.[C:26]([O:27][CH2:28][CH3:29])(=[O:30])[CH3:31].[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl-:38].[K+:15].[K+:16].[OH2:60]>>[C:1]([CH3:2])(=[O:3])[C:4]1([CH2:19][CH2:18][C:17](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[C:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 134002-AcetylcyclohexanoneHCID 15458tert-Butyl acrylateHCID 17208BenzyltriethylammoniumHCID 19660Carbonate Ion

Product 1

HCID 109892762-Acetyl-2-[2-(tert-butoxycarbonyl)ethyl]cyclohexanone

Sources & evidence

ORD record
ord-463527673cc746989683180d30df721d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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