3-Chloro-4-(methoxycarbonyl)benzeneboronic acid → 3,3'-Dichloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

HRID 289039Notes

Reaction equation

HRID 289039 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[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]>>[c:2]1(-[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:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:26]2)[N:20]([CH3:25])[C:21](=[O:24])[CH2:22][O:23]3)[CH3:27])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 230053353-Chloro-4-(methoxycarbonyl)benzeneboronic acidHCID 666971866-[2-(4-Bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Product 1

HCID 666972543,3'-Dichloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-64dac5ad5dfc41b68437270cb89eca51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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