Potassium Cation → 3-{3-[(3-pyridin-4-yl-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-8(5H)-yl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile

HRID 90690Notes

Reaction equation

HRID 90690 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][S:2]([O:3][CH2:6][c:7]1[n:8][o:9][c:10](-[c:12]2[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[n:11]1)(=[O:4])=[O:5].[CH3:41][C:42](=[O:43])[CH2:44][CH3:45].[K+:39].[K+:40].[n:20]1[cH:21][cH:22][c:23](-[c:26]2[n:27][n:28][c:29]3[n:30]2[CH2:31][CH2:32][CH2:33][NH:34]3)[cH:24][cH:25]1>>[CH2:6]([c:7]1[n:8][o:9][c:10](-[c:12]2[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[n:11]1)[N:34]1[c:29]2[n:28][n:27][c:26](-[c:23]3[cH:22][cH:21][n:20][cH:25][cH:24]3)[n:30]2[CH2:31][CH2:32][CH2:33]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 57837975[5-(3-Cyanophenyl)-1,2,4-oxadiazol-3-yl]methyl methanesulfonateHCID 1361179203-Pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine

Product 1

HCID 115092473-{3-[(3-pyridin-4-yl-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-8(5H)-yl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile

Sources & evidence

ORD record
ord-a346435327d14c0e94d79302829dbb71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…