Acetic Acid → HCID 21955351, compound

Reaction equation

[CH3:19][C:20](=[O:21])[OH:22].[CH3:26][CH2:27][OH:28].[H:24][H:25].[OH2:23].[OH:1][C:2]1([C:15]#[C:16][CH2:17][OH:18])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1>>[OH:1][C:2]1([CH2:15][CH2:16][CH2:17][OH:18])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1

Participants

Reactant 5

HCID 176Acetic Acid

HCID 702Ethanol

HCID 962Water

HCID 21955143Tert-butyl 4-hydroxy-4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate

HCID 178418361HCID 178418361, compound

Product 1

HCID 21955351HCID 21955351, compound

Sources & evidence

ORD record: ord-c41d101326e740b3bd80fce9084bccbc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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