Acetic Acid → HCID 69167055, compound

HRID 1547014Notes

Reaction equation

HRID 1547014 reaction equation
[C:21]([BH3-:22])#[N:23].[C:25](=[O:26])([OH:27])[O-:28].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([NH2:11])[CH2:7][CH2:8][CH2:9][CH2:10]1.[CH3:30][OH:31].[CH3:32][C:33](=[O:34])[OH:35].[F:12][c:13]1[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]1.[Na+:24].[Na+:29]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([NH:11][CH2:17][c:16]2[cH:15][cH:14][c:13]([F:12])[cH:20][cH:19]2)[CH2:7][CH2:8][CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 680234-FluorobenzaldehydeHCID 498716Cyano-borohydrideHCID 16639469Methyl 2-aminocyclohexane-1-carboxylate

Product 1

HCID 69167055HCID 69167055, compound

Sources & evidence

ORD record
ord-1a2137dde4154710a44e056d70e2733d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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