Acetate → 1-(4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone

HRID 1218568Notes

Reaction equation

HRID 1218568 reaction equation
[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([C:34]2=[CH:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]2)[O:43]1.[CH3:45][C:46](=[O:47])[O-:48].[CH3:51][C:52]#[N:53].[K+:44].[OH2:49].[Pd:50].[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3[Br:25])[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[nH:1]1[c:2]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3[C:34]3=[CH:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]3)[cH:16][cH:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 6342AcetonitrileHCID 23938PalladiumHCID 567376781-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-oneHCID 59326957(1H-benzo[d]imidazol-2-yl)(4-(3-bromopyridin-2-yloxy)phenyl)methanone

Product 1

HCID 593269261-(4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone

Sources & evidence

ORD record
ord-1cc57b1741664bd4840ac4670d2fe33e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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