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Citric Acid → Methyl 2-hydroxy-4-((1-(methylsulfonyl)piperidin-4-yl)oxy)benzoate

HRID 111172
Notes
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Reaction equation

HRID 111172 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][N:56]([CH3:57])[C:58](=[O:59])[CH3:60].[CH3:7][S:8](=[O:9])(=[O:10])[O:11][CH:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1.[I-:35].[K+:5].[K+:6].[Na+:34].[OH:22][c:23]1[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30][c:31]([OH:33])[cH:32]1.[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[O:11]([CH:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[c:31]1[cH:30][cH:29][c:24]([C:25](=[O:26])[O:27][CH3:28])[c:23]([OH:22])[cH:32]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 311Citric AcidHCID 813Potassium Cation2×HCID 923Sodium IonHCID 8857Ethyl AcetateHCID 16523Methyl 2,4-DihydroxybenzoateHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 31374
Dimethylacetamide
HCID 222730651-(Methylsulfonyl)piperidin-4-yl methanesulfonate

Product 1

HCID 66990733Methyl 2-hydroxy-4-((1-(methylsulfonyl)piperidin-4-yl)oxy)benzoate

Sources & evidence

ORD record
ord-a9fca306d9c34976bd9dd054a08910ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes