Citric Acid → HCID 59754789, compound

HRID 700573Notes

Reaction equation

HRID 700573 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]2[n:10][c:11]([Cl:24])[cH:12][cH:13][c:14]2[n:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)([CH3:25])[CH3:26])=[O:27].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:28][OH:29].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Li+:31].[OH-:30].[OH2:56].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[O:3]=[C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]2[n:10][c:11]([Cl:24])[cH:12][cH:13][c:14]2[n:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)([CH3:25])[CH3:26])[OH:27]

Participants

9

Reactant 8

HCID 311Citric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 59754785HCID 59754785, compound

Product 1

HCID 59754789HCID 59754789, compound

Sources & evidence

ORD record
ord-62fdcb3dffc945428dae2e0e0500e0ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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