Sodium ion → Ethyl 2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)phenyl)propanoate

HRID 172705Notes

Reaction equation

HRID 172705 reaction equation
[Br:24][c:25]1[n:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]1.[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([B:15]2[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]2)[cH:13][cH:14]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12](-[c:25]2[n:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27364342-Bromo-5-(trifluoromethyl)pyridineHCID 21099801Ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate

Product 1

HCID 21099802Ethyl 2-methyl-2-(4-(5-(trifluoromethyl)pyridin-2-yl)phenyl)propanoate

Sources & evidence

ORD record
ord-9962997a66554ddca2bdf2c60dbe5fc4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…