Acetate → 4-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid methyl ester

HRID 1240422Notes

Reaction equation

HRID 1240422 reaction equation
[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH3:25][O:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cl:44][CH2:45][Cl:46].[Cu+2:51].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([O:8][c:32]2[cH:31][cH:30][c:29]([C:27]([O:26][CH3:25])=[O:28])[cH:34][cH:33]2)[cH:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27343694-Methoxycarbonylphenylboronic acidHCID 574213145-[2-(2-Chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1-methyl-1H-pyridin-2-one

Product 1

HCID 666994974-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-phenoxy}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-16840f3804ca4e298cd708166ef64358
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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