1,2-Dichloroethane → Methyl 6-chloro-4-(trifluoromethyl)nicotinate

HRID 88787

Reaction equation

HRID 88787 reaction equation
[Cl:41][CH2:42][Cl:43].[Cl:44][CH2:45][CH2:46][Cl:47].[F:1][C:2]([c:3]1[c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][n:6][cH:7][cH:8]1)([F:13])[F:14].[F:21][C:22]([F:23])([F:24])[C:25]([O:26][C:27](=[O:28])[C:29]([F:30])([F:31])[F:32])=[O:33].[NH2:15][C:16]([NH2:17])=[O:18].[Na+:40].[OH-:39].[OH:19][OH:20].[P:34]([Cl:35])([Cl:36])([Cl:37])=[O:38]>>[F:1][C:2]([c:3]1[c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][n:6][c:7]([Cl:36])[cH:8]1)([F:13])[F:14]

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 1176UreaHCID 6344DichloromethaneHCID 9845Trifluoroacetic anhydrideHCID 24813Phosphorus oxychlorideHCID 2775680Methyl 4-(trifluoromethyl)nicotinate

Product 1

HCID 2775340Methyl 6-chloro-4-(trifluoromethyl)nicotinate

Sources & evidence

ORD record
ord-d08f68f9dde442a181cdc5db9f65cd73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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