Acetate → 1,1-Dimethylethyl 3-[4-(4-methyl-1-piperazinyl)phenyl]-1-piperidinecarboxylate

HRID 287208Notes

Reaction equation

HRID 287208 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:11][CH2:12][CH2:13]1.[C:21]([P:22]([C:23]([CH3:24])([CH3:25])[CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][c:32]1-[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([CH3:39])([CH3:40])[CH3:41].[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[CH3:48][N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Na+:47].[Pd+2:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([c:14]2[cH:15][cH:16][c:17]([N:52]3[CH2:51][CH2:50][N:49]([CH3:48])[CH2:54][CH2:53]3)[cH:18][cH:19]2)[CH2:11][CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 531671-MethylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 46840041tert-Butyl 3-(4-bromophenyl)piperidine-1-carboxylate

Product 1

HCID 536289531,1-Dimethylethyl 3-[4-(4-methyl-1-piperazinyl)phenyl]-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-c1508229bfc04f24a5d7065f4890c229
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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