Acetic Acid → Cyclododecanone

HRID 134701

Reaction equation

HRID 134701 reaction equation
[C:13]([CH3:16])([O:17][N:14]=[O:15])([CH3:18])[CH3:19].[C:34]1(=[N:35][OH:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]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.[CH3:88][C:89](=[O:90])[OH:91].[N+:48]([CH:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)([O-:61])=[O:62].[Na+:33].[OH-:32].[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:63]([O-:64])([C:65]([F:66])([F:67])[F:68])(=[O:69])=[O:70].[S:72]([O-:73])([C:74]([F:75])([F:76])[F:77])(=[O:78])=[O:79].[S:80]([O-:81])([C:82]([F:83])([F:84])[F:85])(=[O:86])=[O:87].[Sc+3:71]>>[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

11

Reactant 10

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 9268CyclododecaneHCID 10665N-HydroxyphthalimideHCID 10906Tert-Butyl nitriteHCID 136762Cyclododecanone, oximeHCID 292842NitrocyclododecaneHCID 2758875Trifluoromethanesulfonate3×HCID 4534583Scandium, ion (Sc3+)

Product 1

HCID 13246Cyclododecanone

Sources & evidence

ORD record
ord-c4be12dc970b4a938ded4f991a689e0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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