Potassium Cation → 3-(3-Ethynylphenyl)-2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazole

HRID 179684Notes

Reaction equation

HRID 179684 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][OH:43].[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:26]([F:27])([F:28])[F:29])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([C:20]#[C:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[cH:17][cH:18][cH:19]2)[c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]1.[K+:40].[K+:41]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:26]([F:27])([F:28])[F:29])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([C:20]#[CH:21])[cH:17][cH:18][cH:19]2)[c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 887MethanolHCID 19660Carbonate IonHCID 866030102-(2,4,6-Trifluorobenzyl)-7-(trifluoromethyl)-3-{3-[(trimethylsilyl)ethynyl]phenyl}-2H-indazole

Product 1

HCID 866030133-(3-Ethynylphenyl)-2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazole

Sources & evidence

ORD record
ord-4aa86cf8a8084259b3b5f9c2db0d06c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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