Sodium ion → 4-(1-Acetyl-4,4-dimethyl-2-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile

HRID 671285Notes

Reaction equation

HRID 671285 reaction equation
[CH3:1][C:2]1([CH3:23])[O:3][CH:4]([C:19]([F:20])([F:21])[F:22])[NH:5][c:6]2[c:7]1[cH:8][c:9](-[c:12]1[cH:13][c:14]([C:17]#[N:18])[s:15][cH:16]1)[cH:10][cH:11]2.[CH3:26][C:27]([Cl:28])=[O:29].[H-:25].[Na+:24].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34]>>[CH3:1][C:2]1([CH3:23])[O:3][CH:4]([C:19]([F:20])([F:21])[F:22])[N:5]([C:27]([CH3:26])=[O:29])[c:6]2[c:7]1[cH:8][c:9](-[c:12]1[cH:13][c:14]([C:17]#[N:18])[s:15][cH:16]1)[cH:10][cH:11]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6367Acetyl chlorideHCID 166653HydrideHCID 234355804-[2-(Trifluoromethyl)-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazine-6-yl]-2-thiophenecarbonitrile

Product 1

HCID 234355944-(1-Acetyl-4,4-dimethyl-2-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile

Sources & evidence

ORD record
ord-b3e1fea3c8894d30829547411bb0fa22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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