Dimethyl Sulfoxide → 2-(3-Nitro-6-methoxyphenyl)-5-phenylbenzoxazole

Reaction equation

[CH3:26][O-:27].[CH3:29][S:30]([CH3:31])=[O:32].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:11]2[o:12][c:13]3[c:14]([n:15]2)[cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:18][cH:19]3)[c:7]([F:10])[cH:8][cH:9]1.[Na+:28]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:11]2[o:12][c:13]3[c:14]([n:15]2)[cH:16][c:17](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:18][cH:19]3)[c:7]([O:27][CH3:26])[cH:8][cH:9]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 3826051Methoxide

HCID 218843342-(2-Fluoro-5-nitrophenyl)-5-phenylbenzoxazole

Product 1

HCID 218843862-(3-Nitro-6-methoxyphenyl)-5-phenylbenzoxazole

Sources & evidence

ORD record: ord-9fd26ef44e994884ba120e217c0523f2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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