Carbon Dioxide → 2-Mercapto-3-isopropylbenzoic acid

HRID 310812

Reaction equation

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

Participants

Reactant 5

HCID 280Carbon Dioxide

HCID 8037N,N,N',N'-Tetramethylethylenediamine

HCID 8078Cyclohexane

HCID 96003Benzenethiol, 2-(1-methylethyl)-

HCID 178418339Butyllithium

Product 1

HCID 106555072-Mercapto-3-isopropylbenzoic acid

Sources & evidence

ORD record: ord-d3f62cac800b4eac8f124645df6fdda9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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