Ammonia → 3-Methyl-6-(trifluoromethyl)pyridazine

HRID 163156Notes

Reaction equation

HRID 163156 reaction equation
[C:36]([O:37][CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH3:13][Si:14]([C:15]([F:16])([F:17])[F:18])([CH3:19])[CH3:20].[CH3:27][N:28]1[CH2:29][CH2:30][CH2:31][C:32]1=[O:33].[Cu:34][I:35].[F-:1].[I:5][c:6]1[n:7][n:8][c:9]([CH3:12])[cH:10][cH:11]1.[K+:2].[N:3]#[N:4].[NH3:21].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26]>>[c:6]1([C:15]([F:16])([F:17])[F:18])[n:7][n:8][c:9]([CH3:12])[cH:10][cH:11]1

Participants

11

Reactant 10

HCID 222AmmoniaHCID 813Potassium CationHCID 947NitrogenHCID 6228DimethylformamideHCID 13387N-methyl-2-pyrrolidoneHCID 15413tert-Butyl methyl etherHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 28179Fluoride IonHCID 552549(Trifluoromethyl)trimethylsilaneHCID 126802583-Iodo-6-methylpyridazine

Product 1

HCID 206919503-Methyl-6-(trifluoromethyl)pyridazine

Sources & evidence

ORD record
ord-60a39d14edbd4cc29c489dcce528adf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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