Acetic Acid → HCID 10517494, compound

HRID 286006Notes

Reaction equation

HRID 286006 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[cH:7][cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[ClH:27].[O:16]1[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH2:21]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([C:19]2=[CH:18][CH2:17][O:16][CH2:21][CH2:20]2)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 1140TolueneHCID 73112,4-Di-tert-butylphenolHCID 121599Tetrahydro-4H-pyran-4-one

Product 1

HCID 10517494HCID 10517494, compound

Sources & evidence

ORD record
ord-d2de52e462e244c9ab9ce860120bcf2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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