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Acetate → 4-Benzyl-1-(4-chloro-3-methoxyphenyl)-2-methylpiperazine

HRID 200508
Notes
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Reaction equation

HRID 200508 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:10])[c:6]([O:8][CH3:9])[cH:7]1.[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]1[CH2:19][CH:20]([CH3:24])[NH:21][CH2:22][CH2:23]1.[CH3:71][C:72]([CH3:73])([O-:74])[CH3:75].[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Na+:76].[Pd+2:88].[cH:25]1[cH:26][cH:27][c:28]([P:29]([c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1>>[c:2]1([N:21]2[CH:20]([CH3:24])[CH2:19][N:18]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:23][CH2:22]2)[cH:3][cH:4][c:5]([Cl:10])[c:6]([O:8][CH3:9])[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium IonHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 27275201-Benzyl-3-methylpiperazine
HCID 2769567
5-Bromo-2-chloroanisole
HCID 45749132-Methylpropan-2-olate

Product 1

HCID 684239954-Benzyl-1-(4-chloro-3-methoxyphenyl)-2-methylpiperazine

Sources & evidence

ORD record
ord-f0e96a7ff73a439e93544433dbd678b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes