Acetate → 1-[4-Chloro-3-(methoxymethyl)phenyl]piperazine

HRID 315942Notes

Reaction equation

HRID 315942 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:9][O:10][CH3:11])[c:5]([Cl:8])[cH:6][cH:7]1.[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH2:12]1[CH2:13][NH:14][CH2:15][CH2:16][NH:17]1.[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[Na+:69].[Pd+2:81].[cH:18]1[cH:19][cH:20][c:21]([P:22]([c:23]2[cH:24][cH:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[c:32]2-[c:33]2[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1>>[c:2]1([N:14]2[CH2:13][CH2:12][NH:17][CH2:16][CH2:15]2)[cH:3][c:4]([CH2:9][O:10][CH3:11])[c:5]([Cl:8])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 4837PiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 578402944-Bromo-1-chloro-2-(methoxymethyl)benzene

Product 1

HCID 578405301-[4-Chloro-3-(methoxymethyl)phenyl]piperazine

Sources & evidence

ORD record
ord-6932e4afab874c3ea62d389c37bb109d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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