Ammonium → Cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methanone

HRID 182825Notes

Reaction equation

HRID 182825 reaction equation
[Br-:17].[CH3:1][c:2]1[c:3]([CH:15]=[O:16])[s:4][c:5]2[c:6]1[n:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2.[CH3:27][N+:28]1([O-:29])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:45][CH2:46][CH2:47][N+:48]([CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:58][C:59]#[N:60].[CH:18]1([Mg+:24])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[Cl-:25].[NH4+:26].[O-:40][Ru:41](=[O:42])(=[O:43])=[O:44].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1>>[CH3:1][c:2]1[c:3]([C:15](=[O:16])[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[s:4][c:5]2[c:6]1[n:7][cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2

Participants

11

Reactant 10

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 9559TetrapropylammoniumHCID 82029Methyl morpholine oxideHCID 866627523-Methyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbaldehydeHCID 178507034HCID 178507034, compoundHCID 178527104HCID 178527104, compound

Product 1

HCID 66778802Cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methanone

Sources & evidence

ORD record
ord-9251e6cb72874b258127a09431928c69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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