Acetate → 5-(Methoxycarbonyl)-2-methylbenzoic acid

HRID 1145344Notes

Reaction equation

HRID 1145344 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[CH3:12].[C:26]([CH3:27])(=[O:28])[O-:29].[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:13][CH2:14][CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25].[Cs+:30].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59].[Pd+2:54].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([C:26](=[O:28])[OH:29])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][c:11]1[CH3:12]

Participants

9

Reactant 8

HCID 175Acetate3×HCID 962WaterHCID 6228DimethylformamideHCID 7622TributylamineHCID 11776TriphenylphosphineHCID 104967Cesium cationHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 7015747Methyl 3-bromo-4-methylbenzoate

Product 1

HCID 229994865-(Methoxycarbonyl)-2-methylbenzoic acid

Sources & evidence

ORD record
ord-289ff4c122ce41a89e84f6b99ca5b483
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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