Acetate → 4-((8-Fluoro-6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy)-7-methoxyquinoline

HRID 2332947Notes

Reaction equation

HRID 2332947 reaction equation
[C:36]([O-:37])(=[O:38])[CH3:39].[C:41]([O-:42])(=[O:43])[CH3:44].[CH3:26][c:27]1[n:28][s:29][c:30]([Sn:32]([CH3:33])([CH3:34])[CH3:35])[cH:31]1.[Cl:1][c:2]1[cH:3][c:4]([F:25])[c:5]2[n:6]([cH:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[Pd+2:40]>>[c:2]1(-[c:30]2[s:29][n:28][c:27]([CH3:26])[cH:31]2)[cH:3][c:4]([F:25])[c:5]2[n:6]([cH:7]1)[c:8]([CH2:11][O:12][c:13]1[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][c:22]13)[n:9][n:10]2

Participants

6

Reactant 5

HCID 175Acetate2×HCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 100383203-Methyl-5-(trimethylstannyl)isothiazoleHCID 675022054-((6-Chloro-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy)-7-methoxyquinoline

Product 1

HCID 576911514-((8-Fluoro-6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy)-7-methoxyquinoline

Sources & evidence

ORD record
ord-d2706e84f8924d1aac9b38acfb405ed3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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