Citric Acid → HCID 68780413, compound

HRID 143590

Reaction equation

HRID 143590 reaction equation
[Br:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1.[CH2:12]([CH3:13])[O:14][C:15]([CH2:16][C:17]([CH3:18])=[O:19])=[O:20].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:7][C:8]([OH:9])([CH3:10])[CH3:11].[K+:6].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH2:12]([CH3:13])[O:14][C:15]([CH:16]([C:17]([CH3:18])=[O:19])[CH2:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]1)=[O:20]

Participants

8

Reactant 7

HCID 311Citric AcidHCID 813Potassium CationHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 8868Ethyl AcetoacetateHCID 27335814-(Methylsulfonyl)benzyl BromideHCID 45749132-Methylpropan-2-olate

Product 1

HCID 68780413HCID 68780413, compound

Sources & evidence

ORD record
ord-2a770bb248d54b4d9f08d36fc298180a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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