Acetic Acid → 4-Methylpiperidine-2-carbonitrile

HRID 87060

Reaction equation

HRID 87060 reaction equation
[C:4]([OH:5])(=[O:6])[CH3:7].[CH3:23][CH2:24][OH:25].[CH3:8][CH:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[CH:17]#[N:18].[Cl:1][O-:2].[ClH:19].[K+:16].[Na+:21].[Na+:3].[OH-:15].[OH-:20].[OH2:22]>>[CH3:8][CH:9]1[CH2:10][CH:11]([C:17]#[N:18])[NH:12][CH2:13][CH2:14]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 768Hydrogen CyanideHCID 813Potassium CationHCID 923Sodium ion2×HCID 961Hydroxide2×HCID 962WaterHCID 61739HypochloriteHCID 693814-Methylpiperidine

Product 1

HCID 189282474-Methylpiperidine-2-carbonitrile

Sources & evidence

ORD record
ord-7496bc9466cb4679a8b02ddcea440915
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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