Acetic Acid → HCID 15591095, compound

HRID 2150037Notes

Reaction equation

HRID 2150037 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][OH:31].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[c:16](=[O:18])[cH:17]2)[cH:6][cH:7]1.[Na+:33].[OH-:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[cH:10][c:11]([C:12](=[O:13])[OH:14])[c:16](=[O:18])[cH:17]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 15590980HCID 15590980, compound

Product 1

HCID 15591095HCID 15591095, compound

Sources & evidence

ORD record
ord-37121be8990c4c46b8b939bfa68adff1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…