Acetic Acid → 3-{[(Benzyloxy)(hydroxy)methylidene]amino}-4-hydroxy-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid

HRID 1224102

Reaction equation

HRID 1224102 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]1[CH2:13][C:14](=[O:15])[O:16][C:17]1=[O:18].[CH3:24][O:25][C:26]([CH:27]([NH2:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[CH3:44][C:45](=[O:46])[OH:47].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:43].[S:19]([OH:20])([OH:21])(=[O:22])=[O:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][C:14](=[O:15])[OH:16])[C:17](=[O:18])[NH:28][CH:27]([C:26]([O:25][CH3:24])=[O:36])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 962WaterHCID 1118Sulfuric AcidHCID 19660Carbonate IonHCID 75737DL-Phenylalanine, methyl esterHCID 107296benzyl N-(2,5-dioxooxolan-3-yl)carbamate

Product 1

HCID 1180923-{[(Benzyloxy)(hydroxy)methylidene]amino}-4-hydroxy-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]butanoic acid

Sources & evidence

ORD record
ord-770ccf68c1584e8daf4e29f19e8fad43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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