Dimethylformamide → 3-(3,5-Dimethyl isoxazol-4-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

HRID 695481Notes

Reaction equation

HRID 695481 reaction equation
[Br:17][c:18]1[c:19]([CH3:24])[n:20][o:21][c:22]1[CH3:23].[C:25](=[O:26])([O-:27])[O-:28].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[cH:13][c:14]([CH3:16])[n:15]2.[Cs+:29].[Cs+:30].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:18]1[c:19]([CH3:24])[n:20][o:21][c:22]1[CH3:23])[c:14]([CH3:16])[n:15]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 104967Cesium cation2×HCID 3184214-Bromo-3,5-dimethyl-1,2-oxazoleHCID 688412672,6-Dimethyl-8-(pentan-3-yl)imidazo[1,2-b]pyridazine

Product 1

HCID 579329513-(3,5-Dimethyl isoxazol-4-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-8b258a3d32fa4b7aadb3e8312d25881f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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