Acetic Acid → (+)-3-(6-Hydroxychroman-3-ylmethyl)benzoic acid methyl ester

HRID 1236567Notes

Reaction equation

HRID 1236567 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][CH:11]2[CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([OH:22])[cH:18][c:19]3[CH:20]2[OH:21])[cH:7][cH:8][cH:9]1)=[O:23].[CH3:26][C:27](=[O:28])[OH:29].[H:24][H:25].[OH-:30].[OH-:32].[Pd+2:31]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][CH:11]2[CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]([OH:22])[cH:18][c:19]3[CH2:20]2)[cH:7][cH:8][cH:9]1)=[O:23]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 196006813-(3-Carbomethoxyphenyl)methyl-4,6-dihydroxy-chromanHCID 178418361HCID 178418361, compound

Product 1

HCID 54437409(+)-3-(6-Hydroxychroman-3-ylmethyl)benzoic acid methyl ester

Sources & evidence

ORD record
ord-1b01d452214740dea57b2395ee69121c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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