Acetic Acid → (3RS,4SR)-3-[2-(tert-butoxy)-2-oxoethyl]-1-[(2,6-dichlorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid

HRID 673693Notes

Reaction equation

HRID 673693 reaction equation
[C:11]([O:12][BH-:13]([O:14][C:15](=[O:16])[CH3:17])[O:18][C:19](=[O:20])[CH3:21])(=[O:22])[CH3:23].[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([CH2:31][C:32]1([C:38](=[O:39])[OH:40])[CH2:33][NH:34][CH2:35][CH:36]1[CH3:37])=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:47][OH:48].[Cl:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([Cl:10])[cH:7][cH:8][cH:9]1.[Na+:24].[OH2:46]>>[Cl:1][c:2]1[c:3]([CH2:4][N:34]2[CH2:33][C:32]([CH2:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:41])([C:38](=[O:39])[OH:40])[CH:36]([CH3:37])[CH2:35]2)[c:6]([Cl:10])[cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 67372,6-DichlorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 71293640(3RS,4SR)-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid

Product 1

HCID 71293625(3RS,4SR)-3-[2-(tert-butoxy)-2-oxoethyl]-1-[(2,6-dichlorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid

Sources & evidence

ORD record
ord-5ad2d916d57f464487908182cd00fffd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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