Potassium Cation → 6-Chloro-7-methylsulfanyl-2-(5-methyl-1,3,4-thiadiazol-2-ylsulfanyl)-3-trifluoromethylquinoxaline

HRID 1574888Notes

Reaction equation

HRID 1574888 reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[CH3:37][N:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][n:44]1)[CH3:45].[Cl:19][c:20]1[cH:21][c:22]2[c:23]([cH:24][c:25]1[S:26][CH3:27])[nH:28][c:29](=[O:30])[c:31]([C:32]([F:33])([F:34])[F:35])[n:36]2.[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([S:17][CH3:18])[c:7]([Cl:16])[cH:8][c:9]2[n:10][c:11]1[C:12]([F:13])([F:14])[F:15].[K+:62].[K+:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P:46]([Cl:47])([Cl:48])([Cl:49])=[O:50].[SH:51][c:52]1[s:53][c:54]([CH3:57])[n:55][n:56]1>>[c:2]1([S:51][c:52]2[s:53][c:54]([CH3:57])[n:55][n:56]2)[n:3][c:4]2[cH:5][c:6]([S:17][CH3:18])[c:7]([Cl:16])[cH:8][c:9]2[n:10][c:11]1[C:12]([F:13])([F:14])[F:15]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 218852-DimethylaminopyridineHCID 24813Phosphorus oxychlorideHCID 223411506-chloro-7-methylsulfanyl-3-trifluoromethyl-1H-quinoxalin-2-oneHCID 223411882,6-Dichloro-7-methylsulfanyl-3-trifluoromethylquinoxalineHCID 178434161HCID 178434161, compound

Product 1

HCID 223410966-Chloro-7-methylsulfanyl-2-(5-methyl-1,3,4-thiadiazol-2-ylsulfanyl)-3-trifluoromethylquinoxaline

Sources & evidence

ORD record
ord-39e455b1e27a4350bc62ec9708c02536
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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