1-Butanol → 2,2-Dimethyl-3-octenoic acid

HRID 160586

Reaction equation

HRID 160586 reaction equation
[CH2:15]([OH:16])[CH2:17][CH2:18][CH3:19].[CH3:1][C:2]([C:3]#[N:4])([CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][CH3:10])[CH3:11].[ClH:14].[Na+:13].[OH-:12].[OH2:20]>>[CH3:1][C:2]([C:3](=[O:12])[OH:20])([CH:5]=[CH:6][CH2:7][CH2:8][CH2:9][CH3:10])[CH3:11]

Participants

7

Reactant 6

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 867551562,2-Dimethyl-3-octene nitrile

Product 1

HCID 541965092,2-Dimethyl-3-octenoic acid

Sources & evidence

ORD record
ord-9f0b2089849948dba80b04cdf43a2450
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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