Ammonium → 6-Cyclopropyl-2,4-dimethyl-nicotinic acid ethyl ester

HRID 187043Notes

Reaction equation

HRID 187043 reaction equation
[Ag+:44].[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[CH:14]1([C:17]([OH:18])=[O:19])[CH2:15][CH2:16]1.[N+:40]([O-:41])([O-:42])=[O:43].[NH4+:30].[NH4+:31].[NH4+:33].[OH-:32].[OH2:39].[S:20]([O:21][O:22][S:23]([O-:24])(=[O:25])=[O:26])([O-:27])(=[O:28])=[O:29].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38]>>[CH3:1][c:2]1[n:3][c:4]([CH:14]2[CH2:15][CH2:16]2)[cH:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]

Participants

10

Reactant 9

HCID 223Ammonium3×HCID 943NitrateHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 15655Cyclopropanecarboxylic acidHCID 104755Silver cationHCID 107879PeroxydisulfateHCID 736245Ethyl 2,4-dimethylnicotinate

Product 1

HCID 687768336-Cyclopropyl-2,4-dimethyl-nicotinic acid ethyl ester

Sources & evidence

ORD record
ord-1e9b25590add40fe8b60ac6e90c580bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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