Acetic Acid → Cyclododecanone

HRID 2151730Notes

Reaction equation

HRID 2151730 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.[CH3:66][C:67](=[O:68])[OH:69].[Cl-:63].[Cl-:65].[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].[Zn+2:64]>>[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 312Chloride2×HCID 923Sodium ionHCID 961HydroxideHCID 9268CyclododecaneHCID 10665N-HydroxyphthalimideHCID 10906Tert-Butyl nitriteHCID 32051Zinc(2+)HCID 136762Cyclododecanone, oximeHCID 292842Nitrocyclododecane

Product 1

HCID 13246Cyclododecanone

Sources & evidence

ORD record
ord-37c8137255cc4dc49af2fc9a9467628f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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