Acetate → 6-Chloro-4-o-tolyl-nicotinic acid

HRID 295865Notes

Reaction equation

HRID 295865 reaction equation
[C:31]([O-:32])(=[O:33])[CH3:34].[C:36]([O-:37])(=[O:38])[CH3:39].[C:40]([O-:41])(=[O:42])[CH3:43].[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH3:20][C:21](=[O:22])[OH:23].[Cl-:11].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Mn+3:35].[OH2:29].[OH2:30].[c:12]1([CH3:19])[c:13]([Mg+:18])[cH:14][cH:15][cH:16][cH:17]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[c:9](-[c:13]2[c:12]([CH3:19])[cH:17][cH:16][cH:15][cH:14]2)[cH:10]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 176Acetic AcidHCID 312ChlorideHCID 962Water2×HCID 8028TetrahydrofuranHCID 792226-Chloronicotinic acidHCID 105130Manganese(3+)HCID 178424302HCID 178424302, compound

Product 1

HCID 121673176-Chloro-4-o-tolyl-nicotinic acid

Sources & evidence

ORD record
ord-19e0bdb415024be2a3da102af441b0da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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