Potassium Cation → 1-(4-Fluorophenyl)-1H-indazole-5-thiol

HRID 1121070Notes

Reaction equation

HRID 1121070 reaction equation
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:25]1)[S:8][c:9]1[cH:10][c:11]2[cH:12][n:13][n:14](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[c:15]2[cH:16][cH:17]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:33][OH:34].[K+:30].[K+:31].[OH2:32]>>[SH:8][c:9]1[cH:10][c:11]2[cH:12][n:13][n:14](-[c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[c:15]2[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 59339848S-1-(4-Fluorophenyl)-1H-indazol-5-yl benzothioate

Product 1

HCID 593397121-(4-Fluorophenyl)-1H-indazole-5-thiol

Sources & evidence

ORD record
ord-1b7094036ef44a03b35f16fcabc68ffa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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