Acetic Acid → Cyclododecanone

HRID 180975

Reaction equation

HRID 180975 reaction equation
[C:32]1(=[N:33][OH:34])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]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.[CH3:75][C:76](=[O:77])[OH:78].[N+:60]([CH:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1)([O-:73])=[O:74].[N:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[N:46]([CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59].[OH:13][N:14]1[C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[C:23]1=[O:24]>>[C:1]1(=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 9268CyclododecaneHCID 10665N-HydroxyphthalimideHCID 10906Tert-Butyl nitriteHCID 136762Cyclododecanone, oximeHCID 292842NitrocyclododecaneHCID 54265882Nitrosocyclododecane

Product 1

HCID 13246Cyclododecanone

Sources & evidence

ORD record
ord-3ca30822388b44d1bef82d20a17b0d6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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