Potassium Cation → 2-(2,4-Difluorophenyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)-3-{[6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl}butan-2-ol

HRID 1539710Notes

Reaction equation

HRID 1539710 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:41][C:42]#[N:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8][C:9]([C:10]([CH2:11][n:12]2[n:13][cH:14][n:15][cH:16]2)([OH:17])[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)([CH3:26])[CH3:27])[n:6][n:7]1.[I-:40].[K+:37].[K+:38].[Na+:39].[nH:28]1[n:29][cH:30][n:31][cH:32]1>>[c:2]1(-[n:28]2[n:29][cH:30][n:31][cH:32]2)[cH:3][cH:4][c:5]([S:8][C:9]([C:10]([CH2:11][n:12]2[n:13][cH:14][n:15][cH:16]2)([OH:17])[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)([CH3:26])[CH3:27])[n:6][n:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 19660Carbonate IonHCID 30165Iodide IonHCID 19024386HCID 19024386, compound

Product 1

HCID 1278122-(2,4-Difluorophenyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)-3-{[6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanyl}butan-2-ol

Sources & evidence

ORD record
ord-bb67bfe957944ffbb0b3180dea44c01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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