Acetic Acid → 3-Hydroxyaspartic acid

HRID 1240030

Reaction equation

HRID 1240030 reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][C:27]#[N:28].[CH3:34][N:35]([c:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1)[CH3:42].[CH:13]([N:14]([CH2:15][CH3:16])[CH:17]([CH3:18])[CH3:19])([CH3:20])[CH3:21].[ClH:1].[NH2:2][CH:3]([C:4](=[O:5])[OH:6])[CH:7]([C:8](=[O:9])[O:10][CH3:11])[OH:12].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33]>>[NH2:2][CH:3]([C:4](=[O:5])[OH:6])[CH:7]([C:8](=[O:9])[OH:10])[OH:12]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 134733752-Amino-3-hydroxy-4-methoxy-4-oxobutanoic acid

Product 1

HCID 54253-Hydroxyaspartic acid

Sources & evidence

ORD record
ord-745fd4b0b1394108b1b73d43076781df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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