Toluene → S-Phenyl thioisobutyrate

Reaction equation

[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[Cl:6].[C:21]([O:22][CH2:23][CH3:24])(=[O:25])[CH3:26].[CH3:27][CH2:28][CH2:29][CH:30]([CH3:31])[CH3:32].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[SH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[S:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

Reactant 6

HCID 1140Toluene

HCID 78922-Methylpentane

HCID 7969Thiophenol

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

HCID 62325Isobutyryl chloride

Product 1

HCID 11105960S-Phenyl thioisobutyrate

Sources & evidence

ORD record: ord-53004f5b3257480cb1ce139087acf69c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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