Bicarbonate Ion → (R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutyric acid

HRID 1561523Notes

Reaction equation

HRID 1561523 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH2:3]([CH:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:16]([CH:17]([CH2:18][c:19]1[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][O:31][CH3:32])[c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH:33]([CH3:34])[CH3:35])=[O:36])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Li+:37].[Na+:43].[Na+:44].[Na+:49].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:38].[OH2:50].[OH:1][OH:2].[S:39](=[O:40])([O-:41])[O-:42]>>[C:16]([CH:17]([CH2:18][c:19]1[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][O:31][CH3:32])[c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH:33]([CH3:34])[CH3:35])([OH:36])=[O:40]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 1099SulfiteHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 21458642(4S)-4-benzyl-3-[(2R)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-3-methylbutanoyl]-1,3-oxazolidin-2-one

Product 1

HCID 11853777(R)-2-[3-(3-Methoxypropoxy)-4-methoxybenzyl]-3-methylbutyric acid

Sources & evidence

ORD record
ord-8eb0e65ef9894e758ffb52688826d592
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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