Acetate → Methyl 3-methyl-5-nitrobenzoate

HRID 305932Notes

Reaction equation

HRID 305932 reaction equation
[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([B:14]([OH:15])[OH:16])[cH:8][c:9]([N+:11](=[O:12])[O-:13])[cH:10]1.[CH3:25][I:26].[K+:22].[K+:23].[K+:24].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:32].[P:17]([O-:18])([O-:19])([O-:20])=[O:21].[Pd+2:37]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH3:25])[cH:8][c:9]([N+:11](=[O:12])[O-:13])[cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27734923-(Methoxycarbonyl)-5-nitrophenylboronic Acid (contains varying amounts of Anhydride)

Product 1

HCID 21129904Methyl 3-methyl-5-nitrobenzoate

Sources & evidence

ORD record
ord-dd4ca1643e0a44bfbe21c19379cb304e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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