Acetate → 1-(4-(Difluoromethoxy)-3-methylphenyl)-3,5-dimethylpiperazine

HRID 312602Notes

Reaction equation

HRID 312602 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([O:8][CH:9]([F:10])[F:11])[cH:6][cH:7]1.[CH3:13][CH:14]1[NH:15][CH:16]([CH3:20])[CH2:17][NH:18][CH2:19]1.[CH3:67][C:68]([CH3:69])([O-:70])[CH3:71].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[K+:72].[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[Pd+2:80].[cH:21]1[cH:22][cH:23][c:24]([P:25]([c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66]1>>[c:2]1([N:18]2[CH2:17][CH:16]([CH3:20])[NH:15][CH:14]([CH3:13])[CH2:19]2)[cH:3][c:4]([CH3:12])[c:5]([O:8][CH:9]([F:10])[F:11])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium CationHCID 1140TolueneHCID 660562,6-DimethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 451587104-Bromo-1-(difluoromethoxy)-2-methylbenzene

Product 1

HCID 670458071-(4-(Difluoromethoxy)-3-methylphenyl)-3,5-dimethylpiperazine

Sources & evidence

ORD record
ord-3610792d2a8b4de2b3bd76d8e2bd3784
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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