Acetate → 8-(1-Ethyl-propyl)-2,6-dimethyl-3-(3-methyl-4-pyridin-3-yl-thiophen-2-yl)-imidazo[1,2-b]pyridazine

HRID 698248Notes

Reaction equation

HRID 698248 reaction equation
[Br:1][c:2]1[c:3]([CH3:23])[c:4](-[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:5][cH:6]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Na+:37].[Na+:38].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[Pd+2:64].[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.[n:24]1[cH:25][c:26]([B:30]([OH:31])[OH:32])[cH:27][cH:28][cH:29]1>>[c:2]1(-[c:26]2[cH:25][n:24][cH:29][cH:28][cH:27]2)[c:3]([CH3:23])[c:4](-[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:5][cH:6]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 579329703-(4-Bromo-3-methyl-thiophen-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

Product 1

HCID 579330888-(1-Ethyl-propyl)-2,6-dimethyl-3-(3-methyl-4-pyridin-3-yl-thiophen-2-yl)-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-ab4f111e1033421aa687c921d1d20f41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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