Citric Acid → HCID 66939284, compound

HRID 1121411Notes

Reaction equation

HRID 1121411 reaction equation
[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:13][CH2:14][c:15]1[n:16][c:17](-[c:20]2[c:21]([F:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[o:18][cH:19]1.[H-:1].[Na+:2].[OH:31][C:32]([CH2:33][C:34]([C:35](=[O:36])[OH:37])([CH2:38][C:39](=[O:40])[OH:41])[OH:42])=[O:43].[nH:3]1[n:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:7]1>>[n:3]1([CH2:14][c:15]2[n:16][c:17](-[c:20]3[c:21]([F:30])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[o:18][cH:19]2)[n:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 166653HydrideHCID 66939077HCID 66939077, compound

Product 1

HCID 66939284HCID 66939284, compound

Sources & evidence

ORD record
ord-8e040892fb6547b0ab5ec0dc78a43469
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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