Potassium Cation → 3-Bromo-2-tert-butylsulfanyl-5-nitro-benzaldehyde

Reaction equation

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

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 6387tert-Butyl mercaptan

HCID 19660Carbonate Ion

HCID 866624013-Bromo-2-fluoro-5-nitrobenzaldehyde

Product 1

HCID 866624003-Bromo-2-tert-butylsulfanyl-5-nitro-benzaldehyde

Sources & evidence

ORD record: ord-00107d2949be47de926e3042f1fb072e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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