Dimethyl Sulfoxide → 2-(5-Nitro-2-ethoxyphenyl)-5-phenylbenzoxazole

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 1194401-Hydroxyethyl radical

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

Product 1

HCID 218845722-(5-Nitro-2-ethoxyphenyl)-5-phenylbenzoxazole

Sources & evidence

ORD record: ord-ab49a84a87664921ba118126d60078fe
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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