Ethyl Acetate → Ethyl 5-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfanylpyridine-3-carboxylate

HRID 316086Notes

Reaction equation

HRID 316086 reaction equation
[Br:31][c:32]1[cH:33][n:34][cH:35][c:36]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:37]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:3][c:4]1[c:5]([NH:21][C:22]([C:23]([C:24]([F:25])([F:26])[F:27])([CH3:28])[OH:29])=[O:30])[cH:6][cH:7][c:8]([S:10][Si:11]([CH:12]([CH3:13])[CH3:14])([CH:15]([CH3:16])[CH3:17])[CH:18]([CH3:19])[CH3:20])[cH:9]1.[Cl:43][Cu:44].[Cs+:2].[F-:1]>>[Cl:3][c:4]1[c:5]([NH:21][C:22]([C:23]([C:24]([F:25])([F:26])[F:27])([CH3:28])[OH:29])=[O:30])[cH:6][cH:7][c:8]([S:10][c:32]2[cH:33][n:34][cH:35][c:36]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:37]2)[cH:9]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 62652Cuprous chlorideHCID 104967Cesium cationHCID 140785Ethyl 5-bromopyridine-3-carboxylateHCID 22287265N-[2-chloro-4-tri(propan-2-yl)silylsulfanylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Product 1

HCID 22287412Ethyl 5-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfanylpyridine-3-carboxylate

Sources & evidence

ORD record
ord-157a5a38769143f79416ef64fe255fff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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