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Citric Acid → 3-{[(Tert-butoxy)carbonyl]amino}-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoic acid

HRID 144556
Notes
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Reaction equation

HRID 144556 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:3][O:4][C:5]([CH:6]([CH2:7][NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25].[Na+:2].[OH-:1].[OH2:26].[OH:27][C:28]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH2:34][C:35](=[O:36])[OH:37])[OH:38])=[O:39]>>[O:4]=[C:5]([CH:6]([CH2:7][NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[OH:25]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 22251381Methyl 3-((tert-butoxycarbonyl)amino)-2-(((tert-butoxycarbonyl)amino)methyl)propanoate

Product 1

HCID 22251382
3-{[(Tert-butoxy)carbonyl]amino}-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoic acid

Sources & evidence

ORD record
ord-9201a413540f4a63931883ce7cb8a3d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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