Acetate → 4-(4-Chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine

HRID 665873Notes

Reaction equation

HRID 665873 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([CH3:17])[n:9][c:10]2[n:11]1[n:12][c:13]([CH3:16])[c:14]2[I:15].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:18][c:19]1[n:20][c:21]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[s:22][cH:23]1.[Cs+:34].[Cs+:35].[Cu:60]([I:61])[I:62].[Pd+2:67].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][c:8]([CH3:17])[n:9][c:10]2[n:11]1[n:12][c:13]([CH3:16])[c:14]2-[c:23]1[c:19]([Cl:18])[n:20][c:21]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[s:22]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 248985233-Iodo-2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidineHCID 534400954-(4-Chlorothiazol-2-YL)morpholine

Product 1

HCID 248989774-(4-Chloro-5-(2,5-dimethyl-7-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiazol-2-yl)morpholine

Sources & evidence

ORD record
ord-83c510ac01d64596b787001fe1d02c57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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