Citric Acid → 4-[(3-Chlorophenyl)thio]benzoic acid

HRID 156218Notes

Reaction equation

HRID 156218 reaction equation
[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][OH:40].[Cl:1][c:2]1[cH:3][c:4]([S:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[cH:5][cH:6][cH:7]1.[Li+:20].[OH-:19].[OH2:41].[OH:21][C:22]([CH2:23][C:24]([C:25](=[O:26])[OH:27])([CH2:28][C:29](=[O:30])[OH:31])[OH:32])=[O:33]>>[Cl:1][c:2]1[cH:3][c:4]([S:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:17][cH:18]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 59625879HCID 59625879, compound

Product 1

HCID 157278294-[(3-Chlorophenyl)thio]benzoic acid

Sources & evidence

ORD record
ord-7ec9116ee24c4a858c7295fc3b5ebe5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…