Citric Acid → HCID 178436748, compound

HRID 2159813Notes

Reaction equation

HRID 2159813 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:53][CH3:54])[CH2:10][CH:11]([NH:20][c:21]2[n:22][cH:23][c:24]([N:42]3[CH2:43][CH2:44][CH:45]([C:48](=[O:49])[O:50][CH2:51][CH3:52])[CH2:46][CH2:47]3)[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:12]2[n:13][c:14]([O:18][CH3:19])[cH:15][cH:16][c:17]21.[CH2:70]1[O:71][CH2:72][CH2:73][O:74][CH2:75]1.[Na+:56].[OH-:55].[OH:57][C:58]([CH2:59][C:60]([C:61](=[O:62])[OH:63])([CH2:64][C:65](=[O:66])[OH:67])[OH:68])=[O:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:53][CH3:54])[CH2:10][CH:11]([NH:20][c:21]2[n:22][cH:23][c:24]([N:42]3[CH2:43][CH2:44][CH:45]([C:48](=[O:49])[OH:50])[CH2:46][CH2:47]3)[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:12]2[n:13][c:14]([O:18][CH3:19])[cH:15][cH:16][c:17]21

Participants

6

Reactant 5

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 178469193HCID 178469193, compound

Product 1

HCID 178436748HCID 178436748, compound

Sources & evidence

ORD record
ord-129dd3f687664e81a1f66faeec5fb25b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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