Dimethyl Sulfoxide → 2-bromo-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzenecarbonitrile

HRID 103509Notes

Reaction equation

HRID 103509 reaction equation
[Br:19][c:20]1[c:21]([C:22]#[N:23])[cH:24][cH:25][c:26]([F:28])[cH:27]1.[CH3:29][S:30](=[O:31])[CH3:32].[CH3:3][C:4]1([CH3:18])[CH2:5][C:6](=[O:17])[c:7]2[c:8]([C:13]([F:14])([F:15])[F:16])[n:9][nH:10][c:11]2[CH2:12]1.[H-:1].[Na+:2]>>[CH3:3][C:4]1([CH3:18])[CH2:5][C:6](=[O:17])[c:7]2[c:8]([C:13]([F:14])([F:15])[F:16])[n:9][n:10](-[c:26]3[cH:25][cH:24][c:21]([C:22]#[N:23])[c:20]([Br:19])[cH:27]3)[c:11]2[CH2:12]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 1189392-Bromo-4-fluorobenzonitrileHCID 166653HydrideHCID 441904636,6-Dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one

Product 1

HCID 118541752-bromo-4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzenecarbonitrile

Sources & evidence

ORD record
ord-d6e92962c73f4be4a1ed6d4fcfea04f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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