Potassium Cation → Methyl 2-methyl-2-[[(4-nitrophenyl)methyl]thio]propanoate

Reaction equation

[C:20](=[O:21])([O-:22])[O-:23].[K+:24].[K+:25].[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][Br:9])[cH:10][cH:11]1.[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:26].[SH:12][C:13]([C:14](=[O:15])[O:16][CH3:17])([CH3:18])[CH3:19]>>[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][S:12][C:13]([C:14](=[O:15])[O:16][CH3:17])([CH3:18])[CH3:19])[cH:10][cH:11]1

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 660114-Nitrobenzyl bromide

HCID 14181801Methyl 2-methyl-2-sulfanylpropanoate

Product 1

HCID 57728668Methyl 2-methyl-2-[[(4-nitrophenyl)methyl]thio]propanoate

Sources & evidence

ORD record: ord-b297258c1ab84a5e9d28f25b05f3769e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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