Acetate → HCID 68887653, compound

HRID 686015Notes

Reaction equation

HRID 686015 reaction equation
[C:16]([CH2:17][NH:18][C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26])(=[O:27])[OH:28].[CH3:30][C:31](=[O:32])[O-:33].[CH3:42][C:43]([O:44][C:45](=[O:46])[CH3:47])=[O:48].[CH3:49][C:50](=[O:51])[OH:52].[ClH:34].[Na+:29].[Na+:41].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH:14]=[O:15])[cH:10][n:11][cH:12][cH:13]1.[OH-:40].[OH2:53].[S:35](=[O:36])(=[O:37])([OH:38])[OH:39]>>[O:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[C:17]([C:16](=[O:27])[OH:28])=[CH:14][c:9]2[c:8]1[cH:13][cH:12][n:11][cH:10]2

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 464Hippuric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 143264184-Phenoxy-3-pyridinecarboxaldehyde

Product 1

HCID 68887653HCID 68887653, compound

Sources & evidence

ORD record
ord-d5339c514f48461ea5ede8ced8b31773
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…