Sodium Ion → 6-(2,6-Diethyl-phenyl)-2-methyl-4-methylsulfanyl-nicotinic acid ethyl ester

Reaction equation

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[Cl:11])=[O:23].[CH3:24][S-:25].[Na+:26].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[OH2:27]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[S:25][CH3:24])=[O:23]

Participants

Reactant 5

HCID 923Sodium Ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 519392Mercaptomethanide

HCID 59678345Ethyl 4-chloro-6-(2,6-diethylphenyl)-2-methylnicotinate

Product 1

HCID 669940156-(2,6-Diethyl-phenyl)-2-methyl-4-methylsulfanyl-nicotinic acid ethyl ester

Sources & evidence

ORD record: ord-d5db3ba1194245579c3108a492af183a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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