Acetate → 1-(4-hydroxymethyl-phenyl)-ethanone O-(2-trifluoromethyl-biphenyl-4-ylmethyl)-oxime

HRID 2150523Notes

Reaction equation

HRID 2150523 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([CH2:6][O:7][N:8]=[C:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([CH2:17][OH:18])[cH:15][cH:16]2)[cH:19][cH:20]1.[F-:35].[K+:36].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[PH3:34].[Pd+2:48].[c:25]1([B:31]([OH:32])[OH:33])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:3]([C:21]([F:22])([F:23])[F:24])[cH:4][c:5]([CH2:6][O:7][N:8]=[C:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([CH2:17][OH:18])[cH:15][cH:16]2)[cH:19][cH:20]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24404PhosphineHCID 28179Fluoride IonHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 865959951-(4-hydroxymethyl-phenyl)-ethanone O-(4-chloro-3-trifluoromethyl-benzyl)-oxime

Product 1

HCID 865959961-(4-hydroxymethyl-phenyl)-ethanone O-(2-trifluoromethyl-biphenyl-4-ylmethyl)-oxime

Sources & evidence

ORD record
ord-77fecd94b02e49f0907dae44a5c64302
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…