Acetate → 2-(Cyclobutylmethyl-amino)-cyclopentanecarboxylic acid ethyl ester

HRID 2348161Notes

Reaction equation

HRID 2348161 reaction equation
[C:24]([BH3-:25])#[N:26].[C:28](=[O:29])([OH:30])[O-:31].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[C:7](=[O:11])[CH2:8][CH2:9][CH2:10]1.[CH3:20][C:21](=[O:22])[O-:23].[CH3:33][OH:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH:13]1([CH2:17][NH2:18])[CH2:14][CH2:15][CH2:16]1.[ClH:12].[Na+:19].[Na+:27].[Na+:32]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:18][CH2:17][CH:13]2[CH2:14][CH2:15][CH2:16]2)[CH2:8][CH2:9][CH2:10]1

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 8857Ethyl AcetateHCID 69136Ethyl 2-oxocyclopentanecarboxylateHCID 409746CyclobutylmethylamineHCID 498716Cyano-borohydride

Product 1

HCID 576711932-(Cyclobutylmethyl-amino)-cyclopentanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-9bc107f5db6d4ecab9809239a66373fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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