Water → 1-(4-{4-[(4-Methoxyphenyl)ethynyl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

HRID 173497Notes

Reaction equation

HRID 173497 reaction equation
[Br:38][c:39]1[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]1.[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:8][c:9]1[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]1[CH2:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][CH:20]([c:23]2[s:24][cH:25][c:26]([C:28]#[C:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[n:27]2)[CH2:21][CH2:22]1.[Cu:148][I:149].[F-:47].[OH2:70].[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[CH3:8][c:9]1[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]1[CH2:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][CH:20]([c:23]2[s:24][cH:25][c:26]([C:28]#[C:29][c:39]3[cH:40][cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[n:27]2)[CH2:21][CH2:22]1

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 77304-BromoanisoleHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 671564122-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[(trimethylsilyl)ethynyl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanoneHCID 178420554HCID 178420554, compound

Product 1

HCID 671568341-(4-{4-[(4-Methoxyphenyl)ethynyl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

Sources & evidence

ORD record
ord-688061f7ff7f49c3b989cba09cdb8b35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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