Bicarbonate Ion → 2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-nitrothiophene

HRID 116918Notes

Reaction equation

HRID 116918 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:32][C:33]([O:34][C:35](=[O:36])[CH3:37])=[O:38].[F:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[s:13][cH:14][cH:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)[cH:10][cH:11]1.[Na+:31].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:14]1[s:13][c:12](-[c:9]2[cH:8][cH:7][c:6]([F:5])[cH:11][cH:10]2)[c:16](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)[cH:15]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 944Nitric AcidHCID 7918Acetic AnhydrideHCID 103368732-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene

Product 1

HCID 106433092-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-nitrothiophene

Sources & evidence

ORD record
ord-b938eb6ffae4422ba65b4bbe794a9525
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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