Chloride → 4-[2-(4-Propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-one

HRID 285701Notes

Reaction equation

HRID 285701 reaction equation
[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][C:26](=[O:27])[CH:28]=[CH2:29].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:35].[I:1][c:2]1[cH:3][n:4][c:5]([O:7][c:8]2[cH:9][cH:10][c:11]([O:14][CH:15]([CH3:16])[CH3:17])[cH:12][cH:13]2)[s:6]1.[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1([CH:29]=[CH:28][C:26]([CH3:25])=[O:27])[cH:3][n:4][c:5]([O:7][c:8]2[cH:9][cH:10][c:11]([O:14][CH:15]([CH3:16])[CH3:17])[cH:12][cH:13]2)[s:6]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 6228DimethylformamideHCID 6570Methyl vinyl ketoneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 16028TetrabutylammoniumHCID 24290Palladium ChlorideHCID 67097044HCID 67097044, compound

Product 1

HCID 670968594-[2-(4-Propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-one

Sources & evidence

ORD record
ord-3acf3301b736414ea53e821d9212e5d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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