Pyridine → 2-[3-({[5-(5-Chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}thio)-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]ethyl methanesulfonate

HRID 292865Notes

Reaction equation

HRID 292865 reaction equation
[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:28])[c:6](-[c:8]2[n:9][c:10]([CH2:13][S:14][c:15]3[n:16][n:17][c:18](-[c:23]4[s:24][cH:25][cH:26][cH:27]4)[n:19]3[CH2:20][CH2:21][OH:22])[n:11][o:12]2)[cH:7]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:28])[c:6](-[c:8]2[n:9][c:10]([CH2:13][S:14][c:15]3[n:16][n:17][c:18](-[c:23]4[s:24][cH:25][cH:26][cH:27]4)[n:19]3[CH2:20][CH2:21][O:22][S:30]([CH3:29])(=[O:32])=[O:33])[n:11][o:12]2)[cH:7]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 6228DimethylformamideHCID 31297Methanesulfonyl chlorideHCID 670708392-{3-[5-(5-Chloro-2-fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmethylsulfanyl]-5-thiophen-2-yl-[1,2,4]triazol-4-yl}-ethanol

Product 1

HCID 866025852-[3-({[5-(5-Chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}thio)-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]ethyl methanesulfonate

Sources & evidence

ORD record
ord-4eff63998a184d35a2a5ba01457abdba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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