Acetate → 2-(3-Methylbutylamino)-cyclopentanecarboxylic acid ethyl ester

HRID 200788Notes

Reaction equation

HRID 200788 reaction equation
[C:24]([BH3-:25])#[N:26].[C:28](=[O:29])([OH:30])[O-:31].[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH:8]([NH2:12])[CH2:9][CH2:10][CH2:11]1.[CH3:14][C:15](=[O:16])[O-:17].[CH3:33][OH:34].[CH:18]([CH2:19][CH:20]([CH3:21])[CH3:22])=[O:23].[ClH:1].[Na+:13].[Na+:27].[Na+:32]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH:7]1[CH:8]([NH:12][CH2:18][CH2:19][CH:20]([CH3:21])[CH3:22])[CH2:9][CH2:10][CH2:11]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 115523-MethylbutanalHCID 498716Cyano-borohydrideHCID 13831726Ethyl 2-aminocyclopentanecarboxylate

Product 1

HCID 576711802-(3-Methylbutylamino)-cyclopentanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-f65dc90922f346da98345089edcbc640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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