Acetate → 1-(3-(Trifluoromethoxy)phenyl)piperazine

HRID 89301Notes

Reaction equation

HRID 89301 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:8][C:9]([F:10])([F:11])[F:12])[cH:5][cH:6][cH:7]1.[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:13]1[CH2:14][NH:15][CH2:16][CH2:17][NH:18]1.[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[CH:26]([C:27]1=[N:34][CH:33]=[CH:32][NH+:28]1[CH:29]([CH3:30])[CH3:31])([CH3:35])[CH3:36].[Cl-:25].[K+:24].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[Pd+2:47]>>[c:2]1([N:15]2[CH2:14][CH2:13][NH:18][CH2:17][CH2:16]2)[cH:3][c:4]([O:8][C:9]([F:10])([F:11])[F:12])[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 813Potassium CationHCID 4837PiperazineHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 5199641-Bromo-3-(trifluoromethoxy)benzeneHCID 45749132-Methylpropan-2-olateHCID 1482471451,2-di(propan-2-yl)-1H-imidazol-1-ium

Product 1

HCID 231166241-(3-(Trifluoromethoxy)phenyl)piperazine

Sources & evidence

ORD record
ord-aa34849bed3246ffa99d9455bdb3c8a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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