Citric Acid → HCID 11295855, compound

HRID 173990Notes

Reaction equation

HRID 173990 reaction equation
[CH3:57][CH2:58][OH:59].[F:1][c:2]1[c:3]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH3:19])[S:20](=[O:21])(=[O:22])[c:23]3[s:24][cH:25][c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:14][cH:15]2)[cH:7]1.[Na+:42].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH-:41].[OH2:43].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[F:1][c:2]1[c:3]([CH2:34][CH2:35][C:36](=[O:37])[OH:38])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH3:19])[S:20](=[O:21])(=[O:22])[c:23]3[s:24][cH:25][c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:14][cH:15]2)[cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23143253HCID 23143253, compound

Product 1

HCID 11295855HCID 11295855, compound

Sources & evidence

ORD record
ord-c63b8bd72895452bace1253416b8b053
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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