Piperidine → HCID 178463852, compound

HRID 1225219Notes

Reaction equation

HRID 1225219 reaction equation
[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH2:9]([CH3:10])[N:11]([CH:12]1[CH2:13][N:14]([C:17](=[O:18])[c:19]2[n:20][nH:21][c:22](-[c:25]3[cH:26][c:27]([C:31]#[CH:32])[cH:28][cH:29][cH:30]3)[c:23]2[CH3:24])[CH2:15][CH2:16]1)[CH2:33][CH3:34].[Cl:1][c:2]1[cH:3][c:4]([I:8])[cH:5][cH:6][cH:7]1.[Cu:118][I:119].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[Cl:1][c:2]1[cH:3][c:4]([C:32]#[C:31][c:27]2[cH:26][c:25](-[c:22]3[nH:21][n:20][c:19]([C:17]([N:14]4[CH2:13][CH:12]([N:11]([CH2:9][CH3:10])[CH2:33][CH3:34])[CH2:16][CH2:15]4)=[O:18])[c:23]3[CH3:24])[cH:30][cH:29][cH:28]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8082PiperidineHCID 122691-Chloro-3-iodobenzeneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 178420554HCID 178420554, compoundHCID 178436202(3-Diethylamino-pyrrolidin-1-yl)-[5-(3-ethynyl-phenyl)-4-methyl-1H-pyrazol-3-yl]-methanone

Product 1

HCID 178463852HCID 178463852, compound

Sources & evidence

ORD record
ord-4b7bfee097b84b488fa7391b85a8fc57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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