1-Butanol → n-Butyl 3-hydroxy-1-adamantanecarboxylate

HRID 156057Notes

Reaction equation

HRID 156057 reaction equation
[CH2:15]([CH2:16][CH2:17][CH3:18])[OH:19].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH:1][C:2]12[CH2:3][C:4]3([C:12](=[O:13])[OH:14])[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[S:20](=[O:21])(=[O:22])([OH:23])[OH:24]>>[OH:1][C:2]12[CH2:3][C:4]3([C:12](=[O:13])[O:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:5][CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2

Participants

5

Reactant 4

HCID 2631-ButanolHCID 1118Sulfuric AcidHCID 1140TolueneHCID 27365183-Hydroxyadamantane-1-carboxylic acid

Product 1

HCID 12010642n-Butyl 3-hydroxy-1-adamantanecarboxylate

Sources & evidence

ORD record
ord-1c9f14ab879446568aafe67fa7f2841c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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