4-(Cyanomethyl)benzeneboronic acid → {3'-Chloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-biphenyl-4-yl}-acetonitrile

HRID 2311090Notes

Reaction equation

HRID 2311090 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:24])[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](=[O:22])[n:19]([CH3:21])[cH:20]2)[CH3:23])[cH:6][cH:7]1.[C:25](#[N:26])[CH2:27][c:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([CH2:27][C:25]#[N:26])[cH:33][cH:32]2)[cH:3][c:4]([Cl:24])[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](=[O:22])[n:19]([CH3:21])[cH:20]2)[CH3:23])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 27733424-(Cyanomethyl)benzeneboronic acidHCID 574213205-[2-(4-bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-1-methyl-1H-pyridin-2-one

Product 1

HCID 66782267{3'-Chloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propyl]-biphenyl-4-yl}-acetonitrile

Sources & evidence

ORD record
ord-b31458d6c12d44ad9f4f123878df7a88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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