Acetate → (+/-)-5-{[4-(6-Methylpyridin-3-yl)phenyl]methyl}-2-(tetrahydro-2H-pyran-3-yl)-2,5-dihydro-3H-pyrazolo[4,3-c]pyrido[3,2-e]pyridazin-3-one

HRID 301466Notes

Reaction equation

HRID 301466 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[C:56](=[O:57])([OH:58])[O-:59].[CH3:29][c:30]1[n:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Cl:54][Cu:55].[Cs+:43].[Cs+:44].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20]([CH:23]4[CH2:24][O:25][CH2:26][CH2:27][CH2:28]4)[n:19][c:12]-3[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:6][cH:7]1.[Na+:60].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]([CH3:29])[cH:35][cH:34]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20]([CH:23]4[CH2:24][O:25][CH2:26][CH2:27][CH2:28]4)[n:19][c:12]-3[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 19660Carbonate IonHCID 62652Cuprous chlorideHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27630812-Methylpyridine-5-boronic acidHCID 66744325(+/-)-5-[(4-iodophenyl)methyl]-2-(tetrahydro-2H-pyran-3-yl)-2,5-dihydro-3H-pyrazolo[4,3-c]pyrido[3,2-e]pyridazin-3-one

Product 1

HCID 49763461(+/-)-5-{[4-(6-Methylpyridin-3-yl)phenyl]methyl}-2-(tetrahydro-2H-pyran-3-yl)-2,5-dihydro-3H-pyrazolo[4,3-c]pyrido[3,2-e]pyridazin-3-one

Sources & evidence

ORD record
ord-4c8d3a4894354fcc8f0cf569a79d3204
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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