Citric Acid → HCID 44621738, compound

HRID 2328621Notes

Reaction equation

HRID 2328621 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][CH:2]([CH3:3])[CH2:40][CH:4]([C:5](=[O:6])[OH:7])[c:8]1[cH:9][c:10]([N:24]([c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[CH2:35][CH2:36][CH:37]([CH3:38])[CH3:39])[n:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:13]1.[Na+:60].[OH-:59].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[CH2:4]([C:5](=[O:6])[OH:7])[c:8]1[cH:9][c:10]([N:24]([c:25]2[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[CH2:35][CH2:36][CH:37]([CH3:38])[CH3:39])[n:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[cH:13]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 45107669HCID 45107669, compound

Product 1

HCID 44621738HCID 44621738, compound

Sources & evidence

ORD record
ord-cb7dfd95360844c4a2e4621044dc08d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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