Acetone → Methyl 4-(methylsulfanyl)-3-nitrobenzenecarboxylate

HRID 2139607Notes

Reaction equation

[CH3:15][S-:16].[CH3:18][C:19](=[O:20])[CH3:21].[Cl:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[Na+:17]>>[c:2]1([S:16][CH3:15])[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

Reactant 4

HCID 180Acetone

HCID 923Sodium ion

HCID 519392Mercaptomethanide

HCID 735797Methyl 4-chloro-3-nitrobenzoate

Product 1

HCID 21187831Methyl 4-(methylsulfanyl)-3-nitrobenzenecarboxylate

Sources & evidence

ORD record: ord-6a97909869334b7781aa42495a432cd0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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