Citric Acid → HCID 15457060, compound

HRID 2143396Notes

Reaction equation

HRID 2143396 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][c:5]1[c:6]([Cl:24])[cH:7][c:8]([F:23])[c:9](-[c:11]2[c:12](=[O:22])[n:13]([CH3:21])[c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1.[CH3:41][OH:42].[Na+:26].[OH-:25].[OH2:27].[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40]>>[SH:4][c:5]1[c:6]([Cl:24])[cH:7][c:8]([F:23])[c:9](-[c:11]2[c:12](=[O:22])[n:13]([CH3:21])[c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15457059HCID 15457059, compound

Product 1

HCID 15457060HCID 15457060, compound

Sources & evidence

ORD record
ord-e2a6be32a1de4b8688ac07c3c54112e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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