Acetate → 4-[2-(4,4-Dimethylcyclohexyl)-4-morpholin-4-ylphenyl]piperazine-1-carboxylic acid t-butyl ester

HRID 1210353Notes

Reaction equation

HRID 1210353 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][CH2:23][C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26]3)[cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:46]([PH+:47]([C:48]([CH3:49])([CH3:50])[CH3:51])[C:52]([CH3:53])([CH3:54])[CH3:55])([CH3:56])([CH3:57])[CH3:58].[CH2:29]1[CH2:30][O:31][CH2:32][CH2:33][NH:34]1.[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[Na+:40].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[Pd+2:59].[c:68]1([CH3:69])[c:70]([CH3:71])[cH:72][cH:73][cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][CH2:23][C:24]([CH3:27])([CH3:28])[CH2:25][CH2:26]3)[cH:16][c:17]([N:34]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 7237O-XyleneHCID 8083MorpholineHCID 26255TetrafluoroborateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 4060964Tri-t-butylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 597694184-[4-Bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester

Product 1

HCID 597693984-[2-(4,4-Dimethylcyclohexyl)-4-morpholin-4-ylphenyl]piperazine-1-carboxylic acid t-butyl ester

Sources & evidence

ORD record
ord-51f0c11fbd28486384a338f2d2236036
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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