Acetate → 1-[4-(Phenylmethoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

HRID 682426Notes

Reaction equation

HRID 682426 reaction equation
[Br:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:24][cH:25]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:62][CH2:63][OH:64].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18].[Na+:39].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:65].[Pd+2:53]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:24][cH:25]3)[CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1388351-Bromo-4-phenylmethoxybenzeneHCID 45749132-Methylpropan-2-olateHCID 161154394-[4-(Trifluoromethoxy)phenoxy]piperidine

Product 1

HCID 684830771-[4-(Phenylmethoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

Sources & evidence

ORD record
ord-3cd06f8ee18545788efd57f9647830ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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