Methioninol, (+-)- → 2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-3-methylsulfanyl-propylamino)-6-methyl-nicotinic acid methyl ester

HRID 173217Notes

Reaction equation

HRID 173217 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([O:12][c:13]2[c:14]([CH3:21])[cH:15][c:16]([Cl:20])[cH:17][c:18]2[CH3:19])[n:6][c:7]([CH3:11])[cH:8][c:9]1[Cl:10])=[O:22].[NH2:23][CH:24]([CH2:25][CH2:26][S:27][CH3:28])[CH2:29][OH:30]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:12][c:13]2[c:14]([CH3:21])[cH:15][c:16]([Cl:20])[cH:17][c:18]2[CH3:19])[n:6][c:7]([CH3:11])[cH:8][c:9]1[NH:23][CH:24]([CH2:25][CH2:26][S:27][CH3:28])[CH2:29][OH:30])=[O:22]

Participants

3

Reactant 2

HCID 102901Methioninol, (+-)-HCID 248062602-(4-Chloro-2,6-dimethyl-phenoxy)-4-chloro-6-methyl-nicotinic acid methyl ester

Product 1

HCID 695879002-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-3-methylsulfanyl-propylamino)-6-methyl-nicotinic acid methyl ester

Sources & evidence

ORD record
ord-39b396ec89ee41748d952454a2bf4958
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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