Citric Acid → HCID 17848361, compound

HRID 113112Notes

Reaction equation

HRID 113112 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([Cl:22])[n:9][c:10]1[NH:11][CH2:12][c:13]1[cH:14][c:15]([Cl:21])[c:16]([O:19][CH3:20])[cH:17][cH:18]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[K+:36].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:23][CH2:24][c:25]1[n:26][cH:27][cH:28][cH:29][cH:30]1.[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([O:23][CH2:24][c:25]2[n:26][cH:27][cH:28][cH:29][cH:30]2)[n:9][c:10]1[NH:11][CH2:12][c:13]1[cH:14][c:15]([Cl:21])[c:16]([O:19][CH3:20])[cH:17][cH:18]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 11474PiconolHCID 45749132-Methylpropan-2-olateHCID 22665590HCID 22665590, compound

Product 1

HCID 17848361HCID 17848361, compound

Sources & evidence

ORD record
ord-b0523207576f4f2784da6f75b6d72560
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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