Acetate → 8-(1-ethyl-propyl)-2,6-dimethyl-3-[3-methyl-5-(1-methyl-1H-imidazol-2-yl)-thiophen-2-yl]-imidazo[1,2-b]pyridazine

HRID 159716Notes

Reaction equation

HRID 159716 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:23])[c:5](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:6]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:24][n:25]1[cH:26][cH:27][n:28][cH:29]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cs+:53].[Cs+:54].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd+2:66].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1(-[c:29]2[n:25]([CH3:24])[cH:26][cH:27][n:28]2)[cH:3][c:4]([CH3:23])[c:5](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 13901-MethylimidazoleHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 579329433-(5-Bromo-3-methyl-thiophen-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

Product 1

HCID 579329548-(1-ethyl-propyl)-2,6-dimethyl-3-[3-methyl-5-(1-methyl-1H-imidazol-2-yl)-thiophen-2-yl]-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-e9c28dc79c99405193e5e2bd0b34d254
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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