Citric Acid → HCID 178429800, compound

HRID 1547734Notes

Reaction equation

HRID 1547734 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][N:11]([c:19]3[c:20]([F:40])[cH:21][c:22]4[c:23](=[O:39])[c:24]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:25][n:26]([CH:30]5[CH:31]([F:33])[CH2:32]5)[c:27]4[c:28]3[CH3:29])[CH2:12][CH:13]1[C:14]([F:17])([F:18])[CH2:15][CH2:16]2.[CH3:56][CH2:57][OH:58].[Na+:42].[OH-:41].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][N:11]([c:19]3[c:20]([F:40])[cH:21][c:22]4[c:23](=[O:39])[c:24]([C:34](=[O:35])[OH:36])[cH:25][n:26]([CH:30]5[CH:31]([F:33])[CH2:32]5)[c:27]4[c:28]3[CH3:29])[CH2:12][CH:13]1[C:14]([F:17])([F:18])[CH2:15][CH2:16]2

Participants

6

Reactant 5

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 77301712HCID 77301712, compound

Product 1

HCID 178429800HCID 178429800, compound

Sources & evidence

ORD record
ord-c4415873bb634d5bb50d99b884d54c8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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