Gallic Acid → Octyl Gallate

HRID 145858Notes

Reaction equation

HRID 145858 reaction equation
[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21].[OH2:27].[OH:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([OH:7])[c:8]([OH:9])[c:10]([OH:11])[cH:12]1.[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[O:1]([C:2](=[O:3])[c:4]1[cH:5][c:6]([OH:7])[c:8]([OH:9])[c:10]([OH:11])[cH:12]1)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]

Participants

5

Reactant 4

HCID 370Gallic AcidHCID 9571-OctanolHCID 962WaterHCID 1118Sulfuric Acid

Product 1

HCID 61253Octyl Gallate

Sources & evidence

ORD record
ord-722512ebceda423296d292b691f1148c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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