Isopropanol → 3-[4-(Tert-butoxycarbonyl)piperazino]-2-phenylpropanoic acid

HRID 305937

Reaction equation

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

Participants

Reactant 3

HCID 3776Isopropanol

HCID 68114Atropic acid

HCID 143452tert-Butyl piperazine-1-carboxylate

Product 1

HCID 455884213-[4-(Tert-butoxycarbonyl)piperazino]-2-phenylpropanoic acid

Sources & evidence

ORD record: ord-2f255d1cc3f04c47ae9819c4fb362a6e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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