Acetic Acid → 2-(4-Trifluoromethyl-benzylamino)-cyclopentanecarboxylic acid methyl ester

HRID 1152682Notes

Reaction equation

HRID 1152682 reaction equation
[C:24]([BH3-:25])#[N:26].[C:28](=[O:29])([OH:30])[O-:31].[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH2:11])[CH2:8][CH2:9][CH2:10]1.[CH3:33][OH:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][C:42](=[O:43])[OH:44].[ClH:1].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21]1)([F:22])[F:23].[Na+:27].[Na+:32]>>[CH3:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([NH:11][CH2:18][c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:22])[F:23])[cH:21][cH:20]2)[CH2:8][CH2:9][CH2:10]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 679964-(Trifluoromethyl)benzaldehydeHCID 498716Cyano-borohydrideHCID 14698813Methyl 2-aminocyclopentanecarboxylate

Product 1

HCID 690660802-(4-Trifluoromethyl-benzylamino)-cyclopentanecarboxylic acid methyl ester

Sources & evidence

ORD record
ord-048be7ca8fd14f959a2828f12ffb219c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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