Acetate → 5-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-3-isopropylbenzo[d]isoxazole

HRID 1200581Notes

Reaction equation

HRID 1200581 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH:10]([CH3:11])[CH3:12])[n:8][o:9]2)[cH:13]1.[C:19](=[O:20])([O-:21])[O-:22].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:15][C:16](=[O:17])[O-:18].[Cs+:23].[Cs+:24].[F:25][c:26]1[c:27](-[c:33]2[n:34][c:35]3[o:36][cH:37][cH:38][n:39]3[c:40]2[I:41])[cH:28][cH:29][c:30]([F:32])[cH:31]1.[K+:14].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:53].[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([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)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[c:2]1(-[c:40]2[c:33](-[c:27]3[c:26]([F:25])[cH:31][c:30]([F:32])[cH:29][cH:28]3)[n:34][c:35]3[o:36][cH:37][cH:38][n:39]32)[cH:3][cH:4][c:5]2[c:6]([c:7]([CH:10]([CH3:11])[CH3:12])[n:8][o:9]2)[cH:13]1

Participants

12

Reactant 11

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 594578066-(2,4-Difluorophenyl)-5-iodoimidazo[2,1-b]oxazoleHCID 594578545-Bromo-3-isopropylbenzo[d]isoxazole

Product 1

HCID 594578075-(6-(2,4-Difluorophenyl)imidazo[2,1-b]oxazol-5-yl)-3-isopropylbenzo[d]isoxazole

Sources & evidence

ORD record
ord-9077e76ee3dd48a18e0d383f5260d5ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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