Ammonium → 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide

HRID 2140135Notes

Reaction equation

HRID 2140135 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1.[CH3:28][S:29](=[O:30])[O-:31].[CH3:33][S:34]([CH3:35])=[O:36].[Cl-:37].[Cu+2:47].[F:39][C:40]([F:41])([F:42])[S:43]([O-:44])(=[O:45])=[O:46].[F:48][C:49]([F:50])([F:51])[S:52]([O-:53])(=[O:54])=[O:55].[NH4+:38].[Na+:32]>>[c:2]1([S:29]([CH3:28])(=[O:30])=[O:31])[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 27099Cupric cationHCID 2758875Trifluoromethanesulfonate2×HCID 3870744MethanesulfinateHCID 45138009HCID 45138009, compound

Product 1

HCID 451380101-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide

Sources & evidence

ORD record
ord-e2c401005ad942ffaba06ba12e7544cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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