Methane → (4-Hydroxyphenyl) 4-octan-2-yloxybenzoate

HRID 1554939Notes

Reaction equation

HRID 1554939 reaction equation
[C:33].[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([C:16](=[O:17])[O:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:23][cH:24]2)[cH:14][cH:15]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Pd:34]>>[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([C:16](=[O:17])[O:18][c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[cH:14][cH:15]1

Participants

5

Reactant 4

HCID 297MethaneHCID 8857Ethyl AcetateHCID 23938PalladiumHCID 54467132p-(1-Methyl-heptyloxy)-benzoic acid p-benzyloxyphenyl ester

Product 1

HCID 20149013(4-Hydroxyphenyl) 4-octan-2-yloxybenzoate

Sources & evidence

ORD record
ord-b6b4e8e3cc2741d78f98767a373d80e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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