Acetic Acid → HCID 10018077, compound

HRID 161975Notes

Reaction equation

HRID 161975 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]([N+:25](=[O:26])[O-:27])[cH:7][c:8]([CH3:24])[c:9]([C:10](=[O:11])[CH:12]([C:13]([O:14][CH2:15][CH3:16])=[O:17])[C:18]([O:19][CH2:20][CH3:21])=[O:22])[cH:23]2)[cH:28][cH:29][c:30]([F:32])[cH:31]1.[Na+:39].[OH-:38].[OH2:44].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]([N+:25](=[O:26])[O-:27])[cH:7][c:8]([CH3:24])[c:9]([C:10](=[O:11])[CH3:12])[cH:23]2)[cH:28][cH:29][c:30]([F:32])[cH:31]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 53848590HCID 53848590, compound

Product 1

HCID 10018077HCID 10018077, compound

Sources & evidence

ORD record
ord-704e5fd9a3dc46fdaeaead8711aec2a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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