Acetone → HCID 68765199, compound

HRID 99652Notes

Reaction equation

HRID 99652 reaction equation
[CH3:30][O:31][S:32]([O:33][CH3:34])(=[O:35])=[O:36].[CH3:37][C:38](=[O:39])[CH3:40].[F:1][c:2]1[cH:3][c:4](-[c:18]2[cH:19][c:20]([OH:24])[cH:21][cH:22][cH:23]2)[cH:5][cH:6][c:7]1[NH:8][c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][n:17]1.[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[F:1][c:2]1[cH:3][c:4](-[c:18]2[cH:19][c:20]([OH:24])[cH:21][cH:22][cH:23]2)[cH:5][cH:6][c:7]1[NH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:26])[cH:14][cH:15][cH:16][n:17]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6497Dimethyl SulfateHCID 687626192-(3-Fluoro-3'-hydroxybiphenyl-4-ylamino)nicotinic acid

Product 1

HCID 68765199HCID 68765199, compound

Sources & evidence

ORD record
ord-00a627544fcb4a86bc9be0366ebb6efe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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