Water → 3-(2-Cyanophenyl)-1-(2-pyridyl)-5-(2-pyridyl)-1,2-dihydropyridin-2-one

HRID 310553Notes

Reaction equation

HRID 310553 reaction equation
[C:21](#[N:22])[c:23]1[c:24]([B:29]2[O:30][CH:31]([C:32]([O-:33])=[O:34])[CH:35]=[CH:36][O:37]2)[cH:25][cH:26][cH:27][cH:28]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cs+:42].[Cs+:43].[OH2:49].[n:1]1[c:2](-[n:7]2[c:8](=[O:20])[c:9]([Br:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][cH:16][cH:17][cH:18]3)[cH:12]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[n:7]2[c:8](=[O:20])[c:9](-[c:24]3[c:23]([C:21]#[N:22])[cH:28][cH:27][cH:26][cH:25]3)[cH:10][c:11](-[c:13]3[n:14][cH:15][cH:16][cH:17][cH:18]3)[cH:12]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 223190411-(2-Pyridyl)-5-(2-pyridyl)-3-bromo-1,2-dihydropyridin-2-oneHCID 865903732-(2-Cyanophenyl)-1,3,2-dioxaborinate

Product 1

HCID 223191183-(2-Cyanophenyl)-1-(2-pyridyl)-5-(2-pyridyl)-1,2-dihydropyridin-2-one

Sources & evidence

ORD record
ord-788a945f9cf4463d891abbd3ff5154e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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