Hydrochloric Acid → Cimicoxib

HRID 204862Notes

Reaction equation

HRID 204862 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12](-[n:15]2[cH:16][n:17][c:18]([Cl:29])[c:19]2-[c:20]2[cH:21][c:22]([F:28])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:13][cH:14]1.[ClH:30].[Na+:32].[OH-:31].[OH2:33]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12](-[n:15]2[cH:16][n:17][c:18]([Cl:29])[c:19]2-[c:20]2[cH:21][c:22]([F:28])[c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 102748154-(4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)-N-(1,1-dimethylethyl)benzenesulfonamide

Product 1

HCID 213053Cimicoxib

Sources & evidence

ORD record
ord-36ea4bf81ab649a59d214bd7914eef00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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