Acetic Acid → HCID 178497432, compound

HRID 1549305Notes

Reaction equation

HRID 1549305 reaction equation
[C:21]([BH3-:22])#[N:23].[C:25](=[O:26])([OH:27])[O-:28].[CH3:30][OH:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[F:11][c:12]1[c:13]([CH3:20])[cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]1.[NH2:1][CH:2]1[CH:3]([C:7](=[O:8])[O:9][CH3:10])[CH2:4][CH2:5][CH2:6]1.[Na+:24].[Na+:29]>>[NH:1]([CH:2]1[CH:3]([C:7](=[O:8])[O:9][CH3:10])[CH2:4][CH2:5][CH2:6]1)[CH2:16][c:15]1[cH:14][c:13]([CH3:20])[c:12]([F:11])[cH:19][cH:18]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 27348744-Fluoro-3-methylbenzaldehydeHCID 14698813Methyl 2-aminocyclopentanecarboxylate

Product 1

HCID 178497432HCID 178497432, compound

Sources & evidence

ORD record
ord-1ebe69f38d45458eafeeeed0d0c64b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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