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

HRID 113761

Reaction equation

HRID 113761 reaction equation
[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[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]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([OH:8])[cH:6][cH:7]1.[Cl:29][c:30]1[cH:31][c:32]([B:40]([OH:41])[OH:42])[cH:33][cH:34][c:35]1[C:36](=[O:37])[O:38][CH3:39].[Cu+2:47].[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]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]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][c:5]([O:8][c:32]2[cH:31][c:30]([Cl:29])[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:33]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 175Acetate2×HCID 1049PyridineHCID 27099Cupric cationHCID 230053353-Chloro-4-(methoxycarbonyl)benzeneboronic acidHCID 666971956-[2-(2-Chloro-5-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 666971882-Chloro-4-{4-chloro-3-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-f2ccbe338f594d68a81a698d6eb6858d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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