Ammonium → racemic N-{1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}-5-(3,5-difluorophenyl)-N,4-dimethyl-4H-1,2,4-triazol-3-amine

HRID 1239578Notes

Reaction equation

HRID 1239578 reaction equation
[CH3:19][S:20]([O:21][CH:24]([CH3:25])[c:26]1[n:27][o:28][c:29](-[c:31]2[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]2)[n:30]1)(=[O:22])=[O:23].[Cl-:43].[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10]([CH3:16])[c:11]([NH:14][CH3:15])[n:12][n:13]2)[cH:5][c:6]([F:8])[cH:7]1.[H-:18].[NH4+:44].[Na+:17].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10]([CH3:16])[c:11]([N:14]([CH3:15])[CH:24]([CH3:25])[c:26]3[n:27][o:28][c:29](-[c:31]4[cH:32][c:33]([Cl:37])[cH:34][cH:35][cH:36]4)[n:30]3)[n:12][n:13]2)[cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 57837942[5-(3,5-Difluoro-phenyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-methyl-amineHCID 578379891-[5-(3-Chlorophenyl)-[1,2,4]oxadiazol-3-yl]ethyl methanesulfonate

Product 1

HCID 11553762racemic N-{1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}-5-(3,5-difluorophenyl)-N,4-dimethyl-4H-1,2,4-triazol-3-amine

Sources & evidence

ORD record
ord-fe64e7e018c44e578ecb1f31cc681938
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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