Hydrochloric Acid → 3-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenylamine

HRID 172570Notes

Reaction equation

HRID 172570 reaction equation
[CH3:1][O:2][c:3]1[c:4](-[c:12]2[o:13][c:14](-[c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:19][o:20][c:21]3[CH3:22])[n:15][n:16]2)[cH:5][cH:6][c:7]([N+:9]([O-:10])=[O:11])[cH:8]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][OH:44].[ClH:29].[Fe:45].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35]>>[CH3:1][O:2][c:3]1[c:4](-[c:12]2[o:13][c:14](-[c:17]3[c:18](-[c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[n:19][o:20][c:21]3[CH3:22])[n:15][n:16]2)[cH:5][cH:6][c:7]([NH2:9])[cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23925IronHCID 16722585HCID 16722585, compound

Product 1

HCID 167225873-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenylamine

Sources & evidence

ORD record
ord-47ba0bb9079a4c52810c9afffb2cbbd0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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