Acetic Acid → HCID 57259345, compound

HRID 146304Notes

Reaction equation

HRID 146304 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][OH:29].[CH:20]([CH2:21][CH3:22])=[O:23].[F:1][c:2]1[cH:3][cH:4][c:5]([O:18][CH3:19])[c:6]2[c:11]1[O:10][CH2:9][CH:8]([NH:12][CH:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[CH2:7]2>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:18][CH3:19])[c:6]2[c:11]1[O:10][CH2:9][CH:8]([N:12]([CH:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[CH2:20][CH2:21][CH3:22])[CH2:7]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 527PropanalHCID 887MethanolHCID 57009315HCID 57009315, compound

Product 1

HCID 57259345HCID 57259345, compound

Sources & evidence

ORD record
ord-9f76dcce724347068b6f0cb81a220e0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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