Acetate → 2,4,6-Trimethylphenol

HRID 1118433Notes

Reaction equation

HRID 1118433 reaction equation
[CH3:29][c:30]1[cH:31][c:32]([CH3:33])[cH:34][c:35]([CH3:36])[c:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][c:45]1[cH:46][c:47]([CH3:48])[cH:49][c:50]([CH3:51])[c:52]1[CH2:53][c:54]1[cH:55][c:56]([CH3:57])[cH:58][c:59]([CH3:60])[cH:61]1.[CH3:78][C:79](=[O:80])[OH:81].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:16].[OH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Pd+2:69].[c:7]1([CH3:15])[cH:8][c:9]([CH3:14])[cH:10][c:11]([CH3:13])[cH:12]1.[cH:17]1[cH:18][cH:19][c:20](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1.[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:7]1([CH3:15])[c:8]([OH:62])[c:9]([CH3:14])[cH:10][c:11]([CH3:13])[cH:12]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 176Acetic AcidHCID 241BenzeneHCID 962WaterHCID 996PhenolHCID 7095BiphenylHCID 7947MesityleneHCID 198762,4,6-TrimethylbiphenylHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 10125229Stk331795

Product 1

HCID 106982,4,6-Trimethylphenol

Sources & evidence

ORD record
ord-70f380a734b841d896f046f7611586d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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