Citric Acid → (+-)-Aspartic Acid

HRID 1204812Notes

Reaction equation

HRID 1204812 reaction equation
[C:2]([CH2:3][C:4]([CH2:5][C:9]([OH:10])=[O:11])([C:6](=[O:7])[OH:8])[OH:12])(=[O:13])[OH:14].[CH3:15][CH2:16][CH:17]1[C:18]([OH:19])([CH3:20])[CH:21]([OH:22])[CH:23]([CH3:24])[N:25]([CH3:26])[CH2:27][CH:28]([CH3:29])[CH2:30][C:31]([OH:32])([CH3:33])[CH:34]([O:35][CH:36]2[CH:37]([OH:38])[CH:39]([N:48]([CH3:40])[CH3:41])[CH2:42][CH:43]([CH3:44])[O:45]2)[CH:46]([CH3:47])[CH:49]([O:50][CH:51]2[O:52][CH:53]([CH3:54])[CH:55]([OH:56])[C:57]([O:58][CH3:59])([CH3:60])[CH2:61]2)[CH:62]([CH3:63])[C:64](=[O:65])[O:66]1.[OH2:1].[OH2:67]>>[C:2]([CH2:3][CH:4]([C:6](=[O:7])[OH:8])[NH2:48])(=[O:13])[OH:14]

Participants

4

Reactant 3

HCID 311Citric AcidHCID 962Water2×HCID 226911-[4-(Dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Product 1

HCID 424(+-)-Aspartic Acid

Sources & evidence

ORD record
ord-ffbd8f27ccef4d5f92bd895df59d4d71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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