Dimethyl Sulfoxide → 2-[5-Fluoromethyl-4-(4-methyl-naphthalen-1-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-methyl-4-sulfamoyl-phenyl)-acetamide

HRID 1148219Notes

Reaction equation

HRID 1148219 reaction equation
[CH3:48][S:49]([CH3:50])=[O:51].[Cl:26][CH2:27][C:28](=[O:29])[NH:30][c:31]1[c:32]([CH3:41])[cH:33][c:34]([S:37]([NH2:38])(=[O:39])=[O:40])[cH:35][cH:36]1.[F:1][CH2:2][c:3]1[n:4](-[c:9]2[cH:10][cH:11][c:12]([CH3:19])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[c:5]([SH:8])[n:6][n:7]1.[K+:20].[K+:21].[O-:22][C:23]([O-:24])=[O:25].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[F:1][CH2:2][c:3]1[n:4](-[c:9]2[cH:10][cH:11][c:12]([CH3:19])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[c:5]([S:8][CH2:27][C:28](=[O:29])[NH:30][c:31]2[c:32]([CH3:41])[cH:33][c:34]([S:37]([NH2:38])(=[O:39])=[O:40])[cH:35][cH:36]2)[n:6][n:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 215288492-Chloro-N-(2-methyl-4-sulphamoylphenyl)-acetamideHCID 178426263HCID 178426263, compound

Product 1

HCID 666326962-[5-Fluoromethyl-4-(4-methyl-naphthalen-1-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-methyl-4-sulfamoyl-phenyl)-acetamide

Sources & evidence

ORD record
ord-d5fd1c40b0854e3eb296552c263e5699
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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