Methane → tert-Butyl 4-amino-3-methylbenzoate

HRID 1239863Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][c:9]([CH3:16])[c:10]([N+:13]([O-:14])=[O:15])[cH:11][cH:12]1)=[O:17].[C:21].[CH3:18][CH2:19][OH:20].[Pd:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][c:9]([CH3:16])[c:10]([NH2:13])[cH:11][cH:12]1)=[O:17]

Participants

Reactant 4

HCID 297Methane

HCID 702Ethanol

HCID 23938Palladium

HCID 15283350tert-Butyl 3-methyl-4-nitrobenzoate

Product 1

HCID 53432587tert-Butyl 4-amino-3-methylbenzoate

Sources & evidence

ORD record: ord-4ecf9c0b665a46a28eeff2faa6565a55
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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