Acetate → HCID 12667864, compound

HRID 318200Notes

Reaction equation

HRID 318200 reaction equation
[CH3:1][c:2]1[c:3]2[c:4]([cH:10][c:11]([CH3:18])[c:12]1[C:13](=[O:14])[O:15][CH2:16][CH3:17])[C:5](=[O:6])[O:7][C:8]2=[O:9].[CH3:27][C:28](=[O:29])[O-:30].[CH3:42][C:43](=[O:44])[OH:45].[Na+:26].[O:31]=[C:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[C:39](=[O:40])[O:41]1.[OH:19][C:20]([CH2:21][C:22](=[O:23])[OH:24])=[O:25]>>[CH3:1][c:2]1[c:3]2[c:4]([cH:10][c:11]([CH3:18])[c:12]1[C:13](=[O:14])[O:15][CH2:16][CH3:17])[C:5]([OH:6])([CH3:20])[O:7][C:8]2=[O:9]

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 867Malonic AcidHCID 923Sodium ionHCID 6811Phthalic AnhydrideHCID 12667863HCID 12667863, compound

Product 1

HCID 12667864HCID 12667864, compound

Sources & evidence

ORD record
ord-83a10b0730ab45fbb0cb51306fa42f13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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