(+-)-Aspartic Acid → (Tert-butoxycarbonyl)aspartic acid

Reaction equation

[C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])([O:30][CH:32]([Cl:33])[C:34]([Cl:35])([Cl:36])[Cl:37])=[O:31].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[NH2:1][CH:2]([CH2:3][C:4]([OH:5])=[O:6])[C:7]([OH:8])=[O:9].[O:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1.[OH2:10].[OH2:44]>>[NH:1]([CH:2]([CH2:3][C:4]([OH:5])=[O:6])[C:7]([OH:8])=[O:9])[C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30]

Participants

Reactant 6

HCID 424(+-)-Aspartic Acid

HCID 962Water2×

HCID 8471Triethylamine

HCID 8857Ethyl Acetate

HCID 312751,4-Dioxane

HCID 2724535Tert-butyl 1,2,2,2-tetrachloroethyl Carbonate

Product 1

HCID 302432(Tert-butoxycarbonyl)aspartic acid

Sources & evidence

ORD record: ord-72085ca06d3a478db89ad885dac067a4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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