Acetate → 1-[4-(Tetrahydropyran-2-yloxy)phenyl]piperazine

HRID 199989Notes

Reaction equation

HRID 199989 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[O:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1.[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH2:15]1[CH2:16][NH:17][CH2:18][CH2:19][NH:20]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.[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[Na+:72].[OH2:89].[Pd+2:84].[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:17]2[CH2:16][CH2:15][NH:20][CH2:19][CH2:18]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[O:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 4837PiperazineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 46464362-(4-Bromophenoxy)tetrahydro-2H-pyran

Product 1

HCID 230811571-[4-(Tetrahydropyran-2-yloxy)phenyl]piperazine

Sources & evidence

ORD record
ord-b53b5e812d0a4cb0b80091dfb4ec1844
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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