Potassium Cation → 2-(5-Amino-3-methylsulfanyl-[1,2,4]triazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone

HRID 1203182Notes

Reaction equation

HRID 1203182 reaction equation
[C:9](=[O:10])([O-:11])[O-:12].[CH3:1][S:2][c:3]1[n:4][c:5]([NH2:8])[nH:6][n:7]1.[Cl:15][CH2:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[K+:13].[K+:14].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[CH3:1][S:2][c:3]1[n:4][c:5]([NH2:8])[n:6]([CH2:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[CH2:23][CH2:24]2)[n:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 784713-(Methylthio)-1,2,4-triazol-5-amineHCID 40539571-(Chloroacetyl)-4-(4-chlorophenyl)piperazine

Product 1

HCID 210711172-(5-Amino-3-methylsulfanyl-[1,2,4]triazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone

Sources & evidence

ORD record
ord-87ae79a5533a4ebaad20d7f0046b47b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…