Acetate → 1,2-Dihydro-2-(4-trifluoromethylphenyl)-6-(3-trifluoromethyl-2-pyridinyl)-1-(2-(trimethylsilyl)ethoxymethyl)-3H-indazol-3-one

HRID 1539508Notes

Reaction equation

HRID 1539508 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:29])[n:7](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[cH:10]1.[C:46](=[O:47])([O-:48])[O-:49].[Cl:35][c:36]1[n:37][cH:38][cH:39][cH:40][c:41]1[C:42]([F:43])([F:44])[F:45].[K+:34].[Na+:50].[Na+:51].[O-:30][C:31]([CH3:32])=[O:33].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[c:2]1(-[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[C:42]([F:43])([F:44])[F:45])[cH:3][cH:4][c:5]2[c:6](=[O:29])[n:7](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[cH:10]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 5898332-Chloro-3-(trifluoromethyl)pyridineHCID 692032346-Bromo-1,2-dihydro-2-(4-trifluoromethylphenyl)-1-(2-trimethylsilyl ethoxymethyl)-3H-indazol-3-one

Product 1

HCID 866128481,2-Dihydro-2-(4-trifluoromethylphenyl)-6-(3-trifluoromethyl-2-pyridinyl)-1-(2-(trimethylsilyl)ethoxymethyl)-3H-indazol-3-one

Sources & evidence

ORD record
ord-e51d8369ad71485abcdd2ca0e2fb76cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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