Acetic Acid → Calcium Cation

HRID 1143201Notes

Reaction equation

HRID 1143201 reaction equation
[C:7]([CH:8]=[CH:9][C:10](=[O:11])[O-:12])(=[O:13])[O-:14].[CH3:16][C:17](=[O:18])[OH:19].[Ca+2:15].[Ca+2:5].[Na+:2].[OH-:1].[OH-:4].[OH-:6].[OH2:3]>>[Ca+2:5].[OH:1][CH:9]([CH:8]([OH:3])[C:7](=[O:13])[O-:14])[C:10](=[O:11])[O-:12]

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 271Calcium Cation2×HCID 923Sodium ionHCID 961Hydroxide3×HCID 962WaterHCID 164547Butenedioate

Product 2

HCID 271Calcium CationHCID 38061142,3-Dihydroxybutanedioate

Sources & evidence

ORD record
ord-91e4ec2b16fd49f6af858298620907d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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