Acetic Acid → HCID 22262577, compound

HRID 169372Notes

Reaction equation

HRID 169372 reaction equation
[C:28]([OH:29])(=[O:30])[CH3:31].[CH3:34][C:35]([CH3:36])=[O:37].[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[c:8](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:9](-[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[n:10][nH:11]2)[CH2:5][CH2:6]1.[Na+:33].[OH-:32]>>[N:1]1([CH:35]([CH3:34])[CH3:36])[CH2:2][CH2:3][CH:4]([c:7]2[c:8](-[c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[c:9](-[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[n:10][nH:11]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 22037547HCID 22037547, compound

Product 1

HCID 22262577HCID 22262577, compound

Sources & evidence

ORD record
ord-12d707a4726841bf8976c0a703ae73c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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