Acetate → Tert-butyl 4-[3-(tetrahydropyran-2-yloxy)phenyl]piperazine-1-carboxylate
Reaction equation
[Br:14][c:15]1[cH:16][c:17]([O:18][CH:19]2[O:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26][cH:27]1.[C:87]([O-:88])(=[O:89])[CH3:90].[C:92]([O-:93])(=[O:94])[CH3:95].[CH3:74][C:75]([CH3:76])([O-:77])[CH3:78].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:79].[OH2:96].[Pd+2:91].[cH:28]1[cH:29][cH:30][c:31]([P:32]([c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73]1>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([c:15]2[cH:16][c:17]([O:18][CH:19]3[O:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[CH2:5][CH2:6]1Participants
11
Reactant 10
HCID 175Acetate2×
HCID 923Sodium ion
HCID 962Water
HCID 1140Toluene
HCID 8857Ethyl Acetate
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 143452tert-Butyl piperazine-1-carboxylate
HCID 634876Binap, (A+-)-
HCID 45749132-Methylpropan-2-olate
HCID 50672642-(3-Bromophenoxy)tetrahydro-2H-pyranProduct 1
Sources & evidence
- ORD record
- ord-f03a032641ec4d32b6400301000ea63f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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