Bicarbonate Ion → 2-(3-(t-Butoxycarbonylamino)phenyl)-2-((1-(benzyloxycarbonyl)amino-2-methylpropyl)(hydroxy)phosphinoyloxy)ethanoic acid methyl ester

HRID 191691Notes

Reaction equation

HRID 191691 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]([CH:13]([CH3:14])[CH3:15])[P:16]([OH:17])([OH:18])=[O:19].[CH3:24][O:25][C:26]([CH:27]([c:28]1[cH:29][c:30]([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32][cH:33]1)[OH:42])=[O:43].[Na+:48].[O-:44][C:45]([OH:46])=[O:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[S:20]([Cl:21])([Cl: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]([CH:13]([CH3:14])[CH3:15])[P:16](=[O:17])([OH:18])[O:19][CH:27]([C:26]([O:25][CH3:24])=[O:43])[c:28]1[cH:29][c:30]([NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:31][cH:32][cH:33]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 12524618(1-Benzyloxycarbonylamino-2-methylpropyl)phosphonic acidHCID 67373866Methyl 2-(3-{[(tert-butoxy)carbonyl]amino}phenyl)-2-hydroxyacetate

Product 1

HCID 873759452-(3-(t-Butoxycarbonylamino)phenyl)-2-((1-(benzyloxycarbonyl)amino-2-methylpropyl)(hydroxy)phosphinoyloxy)ethanoic acid methyl ester

Sources & evidence

ORD record
ord-c8d914b66580485b914fa6d50e4d093f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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