Methanol → 3-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]propanal

Reaction equation

[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:8][c:9]([SH:11])[cH:10]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][OH:29].[CH:17](=[O:18])[CH:19]=[CH2:20]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[c:6]([OH:16])[c:7]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:8][c:9]([S:11][CH2:20][CH2:19][CH:17]=[O:18])[cH:10]1

Participants

Reactant 4

HCID 887Methanol

HCID 7847Acrolein

HCID 8471Triethylamine

HCID 703702,6-Di-tert-butyl-4-mercaptophenol

Product 1

HCID 140118163-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]propanal

Sources & evidence

ORD record: ord-751ad30325e143ccbc5de7bf28404aed
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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