Calcium Cation → n-Pentyl 2-(4-hydroxyphenoxy)-propionate

HRID 1125033Notes

Reaction equation

HRID 1125033 reaction equation
[Br:12][CH:13]([C:14](=[O:15])[O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH3:22].[CH3:23][S:24]([CH3:25])=[O:26].[Ca+2:10].[OH-:11].[OH-:9].[OH:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[cH:7][cH:8]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:13]([C:14](=[O:15])[O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH3:22])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 679Dimethyl SulfoxideHCID 785HydroquinoneHCID 961Hydroxide2×HCID 522862Pentyl 2-bromopropanoate

Product 1

HCID 12919931n-Pentyl 2-(4-hydroxyphenoxy)-propionate

Sources & evidence

ORD record
ord-6c6e83e8e4994bb0aae6d62201f4bb13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…