Acetone → Isonicotinic Acid

HRID 673669Notes

Reaction equation

HRID 673669 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:27][C:28](=[O:29])[CH3:30].[Cl:17][C:18]([O:19][CH2:20][CH3:21])=[O:22].[N-:23]=[N+:24]=[N-:25].[Na+:26].[OH2:31].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][n:7][cH:8][cH:9]1>>[N-:23]=[N+:24]=[N-:25].[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][n:7][cH:8][cH:9]1

Participants

9

Reactant 7

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 5922Isonicotinic AcidHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 33558Azide

Product 2

HCID 5922Isonicotinic AcidHCID 33558Azide

Sources & evidence

ORD record
ord-d031c2883b0f40d0be1d27d95e555c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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