Acetate → 1-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

HRID 203178Notes

Reaction equation

HRID 203178 reaction equation
[Br:1][c:2]1[c:3]([CH3:15])[c:4]([CH3:14])[c:5]2[c:6]([c:12]1[CH3:13])[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2.[C:82]([O-:83])(=[O:84])[CH3:85].[C:87]([O-:88])(=[O:89])[CH3:90].[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1.[CH3:76][C:77]([CH3:78])([O-:79])[CH3:80].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Na+:81].[OH2:91].[Pd+2:86].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([c:21]3[cH:20][cH:19][c:18]([O:17][CH3:16])[cH:23][cH:22]3)[CH2:29][CH2:28]2)[c:3]([CH3:15])[c:4]([CH3:14])[c:5]2[c:6]([c:12]1[CH3:13])[CH2:7][C:8]([CH3:10])([CH3:11])[O:9]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2697221-(4-Methoxyphenyl)piperazineHCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 667609285-Bromo-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran

Product 1

HCID 469103861-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

Sources & evidence

ORD record
ord-556a3b0620564bcba3e43b014137c5f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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