Citric Acid → HCID 66990773, compound

HRID 212940Notes

Reaction equation

HRID 212940 reaction equation
[C:9](=[O:10])([CH3:11])[O:12][c:13]1[cH:14][c:15]([O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:16]([C:17](=[O:18])[NH:19][c:20]2[c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30][c:31](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:32]2)[cH:39][cH:40]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Na+:2].[O:3]1[CH2:4][CH2:5][O:6][CH2:7][CH2:8]1.[OH-:1].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61]>>[OH:12][c:13]1[cH:14][c:15]([O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:16]([C:17](=[O:18])[NH:19][c:20]2[c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30][c:31](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:32]2)[cH:39][cH:40]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 66990556HCID 66990556, compound

Product 1

HCID 66990773HCID 66990773, compound

Sources & evidence

ORD record
ord-da419bd315ed4ed7a0b47b41471c0a9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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