Citric Acid → HCID 22350943, compound

HRID 2153726Notes

Reaction equation

HRID 2153726 reaction equation
[CH3:46][CH2:47][OH:48].[Cl:1][c:2]1[cH:3][c:4]([O:28][CH3:29])[c:5]([N:8]=[c:9]2[s:10][cH:11][c:12](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[n:13]2[CH2:14][CH2:15][CH2:16][NH:17][CH2:18][CH2:19][OH:20])[cH:6][cH:7]1.[Na+:31].[OH-:30].[OH2:32].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[Cl:1][c:2]1[cH:3][c:4]([O:28][CH3:29])[c:5]([N:8]=[c:9]2[s:10][cH:11][c:12](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[n:13]2[CH2:14][CH2:15][CH2:16][NH:17][CH2:18][C:19](=[O:20])[OH:33])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 22350987HCID 22350987, compound

Product 1

HCID 22350943HCID 22350943, compound

Sources & evidence

ORD record
ord-9755b76fe3f14b4595b45a3a9cad49cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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