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

HRID 171393Notes

Reaction equation

HRID 171393 reaction equation
[Br:17][c:18]1[c:19]2[c:20]([s:21][c:22]1[CH3:23])[cH:24][cH:25][cH:26][cH:27]2.[C:47](=[O:48])([O-:49])[O-:50].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[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+:51].[Cs+:52].[N:53]#[N:54].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[Pd+2:59].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]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]3[c:20]([s:21][c:22]1[CH3:23])[cH:24][cH:25][cH:26][cH:27]3)[c:14]([CH3:16])[n:15]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 947NitrogenHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 8218643-Bromo-2-methyl-1-benzothiopheneHCID 688412672,6-Dimethyl-8-(pentan-3-yl)imidazo[1,2-b]pyridazine

Product 1

HCID 577526478-(1-Ethyl-propyl)-2,6-dimethyl-3-(2-methyl-benzo[b]thiophen-3-yl)-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-1700b75a01fd42b0b2ebccf51f55ed81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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