Bicarbonate Ion → 4-fluoro-N,3-dimethyl-N-(3-methyl-1-oxobutan-2-yl)benzamide

HRID 86330Notes

Reaction equation

HRID 86330 reaction equation
[CH:19]1([C:20]([c:21]2[n:22][c:23]3[c:24]([n:25][c:26]([NH2:30])[nH:27][c:28]3=[O:29])[n:31][cH:32]2)=[O:33])[CH:34]([OH:35])[CH2:36][O:37][P:38](=[O:39])([OH:40])[O:41]1.[Cl:56][CH2:57][Cl:58].[F:1][c:2]1[c:3]([CH3:18])[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH:10]([CH2:11][OH:12])[CH:13]([CH3:14])[CH3:15])[cH:16][cH:17]1.[Na+:46].[Na+:54].[Na+:55].[O-:42][C:43]([OH:44])=[O:45].[S:47]([S:48]([O-:49])=[O:50])([O-:51])(=[O:52])=[O:53]>>[F:1][c:2]1[c:3]([CH3:18])[cH:4][c:5]([C:6](=[O:7])[N:8]([CH3:9])[CH:10]([CH:11]=[O:12])[CH:13]([CH3:14])[CH3:15])[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 159940DisulfiteHCID 677733594-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-N,3-dimethylbenzamideHCID 1354811871-(2-Amino-4-oxopteridin-7-yl)-1-oxo-2,3,4-butanetriol-2,4-cyclic phosphate

Product 1

HCID 884142254-fluoro-N,3-dimethyl-N-(3-methyl-1-oxobutan-2-yl)benzamide

Sources & evidence

ORD record
ord-720aa3d2c4954578b2005b65e3bc64f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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