Acetate → 5-(4-(Trifluoromethyl)phenyl)pyridazin-3(2H)-one

HRID 2345909

Reaction equation

HRID 2345909 reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cl:49][CH2:50][Cl:51].[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)([F:39])[F:40].[I:20][c:21]1[cH:22][c:23](=[O:27])[nH:24][n:25][cH:26]1.[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[OH2:48].[Pd+2:52]>>[c:21]1(-[c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:39])[F:40])[cH:35][cH:34]2)[cH:22][c:23](=[O:27])[nH:24][n:25][cH:26]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 166383305-Iodo-2,3-dihydropyridazin-3-one

Product 1

HCID 579503875-(4-(Trifluoromethyl)phenyl)pyridazin-3(2H)-one

Sources & evidence

ORD record
ord-03db922956964ddcbd54bdb9562f1d56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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