Sodium ion → 2,6-Difluoro-N-{1-[(5-hydroxy-2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

HRID 1216711Notes

Reaction equation

HRID 1216711 reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cu+2:40].[N:31]([O-:32])=[O:33].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:25])[c:6]([CH2:8][n:9]2[n:10][c:11]([NH:14][C:15]([c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])=[O:24])[cH:12][cH:13]2)[cH:7]1.[NH2:35][C:36](=[O:37])[NH2:38].[Na+:34].[O-:41][S:42](=[O:43])(=[O:44])[O-:45].[OH2:39].[S:26]([OH:27])(=[O:28])(=[O:29])[OH:30]>>[c:2]1([OH:27])[cH:3][cH:4][c:5]([CH3:25])[c:6]([CH2:8][n:9]2[n:10][c:11]([NH:14][C:15]([c:16]3[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]3[F:22])=[O:24])[cH:12][cH:13]2)[cH:7]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 1176UreaHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 59548012N-{1-[(5-amino-2-methylphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide

Product 1

HCID 595478422,6-Difluoro-N-{1-[(5-hydroxy-2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

Sources & evidence

ORD record
ord-6449d052fd7b4f8eb61fb25e3efcf9cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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