Acetate → Nicotinic Acid

HRID 2318530Notes

Reaction equation

HRID 2318530 reaction equation
[C:1]([O:2][N:4]1[C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[C:13]1=[O:14])(=[O:3])[CH3:15].[C:28]([O-:29])(=[O:30])[CH3:31].[C:33]([O-:34])(=[O:35])[CH3:36].[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[CH3:24][C:25](=[O:26])[OH:27].[CH:16]([c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1)=[O:23].[Co+2:32].[Mn+2:41]>>[O:3]=[C:16]([c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1)[OH:23]

Participants

7

Reactant 6

HCID 175Acetate4×HCID 176Acetic AcidHCID 103713-PyridinecarboxaldehydeHCID 27854Manganese(2+)HCID 104729Cobalt(2+)HCID 2655661,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate

Product 1

HCID 938Nicotinic Acid

Sources & evidence

ORD record
ord-7b7e8064cd37445a9f784497f37975da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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