Acetate → 2-Chloro-5-{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}-benzonitrile

HRID 689895Notes

Reaction equation

HRID 689895 reaction equation
[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[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[c:31]([C:39]#[N:40])[cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Cu+2:45].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]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:33]2[cH:32][c:31]([C:39]#[N:40])[c:30]([Cl:29])[cH:35][cH:34]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 175Acetate2×HCID 1049PyridineHCID 27099Cupric cationHCID 44119831(4-Chloro-3-cyanophenyl)boronic 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 666972492-Chloro-5-{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}-benzonitrile

Sources & evidence

ORD record
ord-56c099e2fdcb4ae8aac30a839a8bdb8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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