Hydrochloric Acid → Bempedoic acid

Reaction equation

[BH4-:1].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:34][OH:35].[ClH:33].[Na+:2].[O:3]=[C:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([C:11](=[O:12])[OH:13])([CH3:14])[CH3:15])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([C:22](=[O:23])[OH:24])([CH3:25])[CH3:26].[OH2:36]>>[OH:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([C:11](=[O:12])[OH:13])([CH3:14])[CH3:15])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([C:22](=[O:23])[OH:24])([CH3:25])[CH3:26]

Participants

Reactant 7

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium Ion

HCID 962Water

HCID 8857Ethyl Acetate

HCID 28123Borohydride

HCID 113368222,2,14,14-Tetramethyl-8-oxopentadecanedioic acid

Product 1

Sources & evidence

ORD record: ord-bc03c84280d94b38ac3cfcc88d64674c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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