Methanol → Robenacoxib

HRID 665376Notes

Reaction equation

HRID 665376 reaction equation
[CH3:23][OH:24].[F:1][c:2]1[c:3]([N:11]2[C:12](=[O:22])[CH2:13][c:14]3[cH:15][c:16]([CH2:20][CH3:21])[cH:17][cH:18][c:19]32)[c:4]([F:10])[c:5]([F:9])[cH:6][c:7]1[F:8].[Na+:26].[OH-:25].[OH2:27]>>[F:1][c:2]1[c:3]([NH:11][c:19]2[c:14]([CH2:13][C:12](=[O:22])[OH:24])[cH:15][c:16]([CH2:20][CH3:21])[cH:17][cH:18]2)[c:4]([F:10])[c:5]([F:9])[cH:6][c:7]1[F:8]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 219386525-Ethyl-1,3-dihydro-1-(2,3,5,6-tetrafluorophenyl)-2H-indol-2-one

Product 1

HCID 6433107Robenacoxib

Sources & evidence

ORD record
ord-e7d83bbab85d4d99ba7ba51bc9d62650
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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