Piperidine → 1-(Methylsulfonyl)-4-[4-(trimethylsilylethynyl)phenyl]piperazine

HRID 2346572Notes

Reaction equation

HRID 2346572 reaction equation
[CH2:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1.[CH3:18][Si:19]([CH3:20])([CH3:21])[C:22]#[CH:23].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([Br:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1.[Cu:49][I:50].[Pd:51]([Cl:52])[Cl:53].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:54]1([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([C:23]#[C:22][Si:19]([CH3:18])([CH3:20])[CH3:21])[cH:15][cH:16]2)[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 8082PiperidineHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 219193841-(4-Bromophenyl)-4-(methylsulfonyl)piperazine

Product 1

HCID 696067501-(Methylsulfonyl)-4-[4-(trimethylsilylethynyl)phenyl]piperazine

Sources & evidence

ORD record
ord-35a96a9937b1481ba97b806f4349fecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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