Acetic Acid → Cyclododecanone

HRID 1552207Notes

Reaction equation

HRID 1552207 reaction equation
[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].[N:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[Na+:38].[OH-:37].[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].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[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

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-57a02c9037a74cbbbd9862d1570e706b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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