Ammonia → Tilmacoxib

HRID 697388Notes

Reaction equation

HRID 697388 reaction equation
[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([F:23])[cH:7][c:8](-[c:11]2[c:12]([CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[n:13][c:14]([CH3:16])[o:15]2)[cH:9][cH:10]1.[NH3:24]>>[S:2](=[O:3])(=[O:4])([c:5]1[c:6]([F:23])[cH:7][c:8](-[c:11]2[c:12]([CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[n:13][c:14]([CH3:16])[o:15]2)[cH:9][cH:10]1)[NH2:24]

Participants

4

Reactant 3

HCID 222AmmoniaHCID 8857Ethyl AcetateHCID 11360321HCID 11360321, compound

Product 1

HCID 159271Tilmacoxib

Sources & evidence

ORD record
ord-c6e9ff67342f41d5a4dfa7f14d723b7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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