Acetic Acid → methyl 2-[(3-methylphenyl)methylamino]cyclopentane-1-carboxylate

HRID 203285Notes

Reaction equation

HRID 203285 reaction equation
[C:20]([BH3-:21])#[N:22].[C:24](=[O:25])([OH:26])[O-:27].[CH3:11][c:12]1[cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18][cH:19]1.[CH3:29][OH:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:37][C:38](=[O:39])[OH:40].[NH2:1][CH:2]1[CH:3]([C:7](=[O:8])[O:9][CH3:10])[CH2:4][CH2:5][CH2:6]1.[Na+:23].[Na+:28]>>[NH:1]([CH:2]1[CH:3]([C:7](=[O:8])[O:9][CH3:10])[CH2:4][CH2:5][CH2:6]1)[CH2:15][c:14]1[cH:13][c:12]([CH3:11])[cH:19][cH:18][cH:17]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 121053-MethylbenzaldehydeHCID 498716Cyano-borohydrideHCID 14698813Methyl 2-aminocyclopentanecarboxylate

Product 1

HCID 178497431methyl 2-[(3-methylphenyl)methylamino]cyclopentane-1-carboxylate

Sources & evidence

ORD record
ord-934043b2a9f147b38904aeb215282477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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