O-Xylene → Isoxicam

HRID 1232675Notes

Reaction equation

HRID 1232675 reaction equation
[NH2:19][c:20]1[n:21][o:22][c:23]([CH3:25])[cH:24]1.[OH:1][C:2]1=[C:3]([C:15]([O:17][CH3:16])=[O:18])[N:4]([CH3:14])[S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[c:26]1([CH3:27])[c:28]([CH3:29])[cH:30][cH:31][cH:32][cH:33]1>>[OH:1][C:2]1=[C:3]([C:15](=[O:17])[NH:19][c:20]2[n:21][o:22][c:23]([CH3:25])[cH:24]2)[N:4]([CH3:14])[S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

4

Reactant 3

HCID 7237O-XyleneHCID 661723-Amino-5-methylisoxazoleHCID 54676532methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Product 1

HCID 54677972Isoxicam

Sources & evidence

ORD record
ord-8feb165169df4273a0b8171bb0d37222
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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