Acetic Acid → Cyclododecanone

HRID 188298

Reaction equation

HRID 188298 reaction equation
[C:13]([CH3:16])([O:17][N:14]=[O:15])([CH3:18])[CH3:19].[C:39]1(=[N:40][OH:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[CH2:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[CH3:68][C:69](=[O:70])[OH:71].[N+:53]([CH:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1)([O-:66])=[O:67].[Na+:38].[OH-:37].[OH:20][N:21]1[C:22](=[O:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[C:30]1=[O:31].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[C:1]1(=[O:17])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 1118Sulfuric AcidHCID 9268CyclododecaneHCID 10665N-HydroxyphthalimideHCID 10906Tert-Butyl nitriteHCID 136762Cyclododecanone, oximeHCID 292842Nitrocyclododecane

Product 1

HCID 13246Cyclododecanone

Sources & evidence

ORD record
ord-a69b1ecf0b3d4c18a6c6108ec42b3bf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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