Citric Acid → HCID 22050793, compound

HRID 97176Notes

Reaction equation

HRID 97176 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([C:5]#[N:6])[cH:7][c:8]([F:11])[cH:9][cH:10]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:12][c:13]1[cH:14][c:15](=[O:31])[n:16](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28][c:29]2[CH3:30])[c:17]([CH3:19])[cH:18]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH2:2]([c:3]1[c:4]([C:5]#[N:6])[cH:7][c:8]([F:11])[cH:9][cH:10]1)[O:12][c:13]1[cH:14][c:15](=[O:31])[n:16](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28][c:29]2[CH3:30])[c:17]([CH3:19])[cH:18]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 220157702-(Bromomethyl)-5-fluorobenzonitrileHCID 54724193methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1(2H)-yl)-4-methylbenzoate

Product 1

HCID 22050793HCID 22050793, compound

Sources & evidence

ORD record
ord-dca06316810447fab172e59b65ccb189
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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