Hydrochloric Acid → Parecoxib Impurity 67

HRID 2318040Notes

Reaction equation

HRID 2318040 reaction equation
[CH2:1]([CH2:2][CH3:3])[O:4][CH2:5][c:6]1[c:7](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[NH:26][C:27]([CH2:28][CH3:29])=[O:30])[cH:21][cH:22]2)[c:8](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:9][o:10]1.[CH3:34][OH:35].[ClH:33].[Na+:32].[OH-:31]>>[OH:4][CH2:5][c:6]1[c:7](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[NH:26][C:27]([CH2:28][CH3:29])=[O:30])[cH:21][cH:22]2)[c:8](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:9][o:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 22643596HCID 22643596, compound

Product 1

HCID 22643548Parecoxib Impurity 67

Sources & evidence

ORD record
ord-0288357ed4c24ee5bf71fd080438a18a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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