Acetate → Indanofan

HRID 93165Notes

Reaction equation

HRID 93165 reaction equation
[C:27]([O-:28])(=[O:29])[CH3:30].[C:32]([O:33][OH:34])(=[O:35])[CH3:36].[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cl:1][c:2]1[cH:3][c:4]([C:8](=[CH2:9])[CH2:10][C:11]2([CH2:22][CH3:23])[C:12](=[O:21])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[C:19]2=[O:20])[cH:5][cH:6][cH:7]1.[Na+:31].[Na+:42].[Na+:43].[OH2:24].[OH2:25].[OH2:26].[S:37]([O-:38])([O-:39])(=[O:40])=[S:41]>>[Cl:1][c:2]1[cH:3][c:4]([C:8]2([CH2:10][C:11]3([CH2:22][CH3:23])[C:12](=[O:21])[c:13]4[cH:14][cH:15][cH:16][cH:17][c:18]4[C:19]3=[O:20])[CH2:9][O:29]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ion3×HCID 962Water3×HCID 1084Thiosulfate ionHCID 6212ChloroformHCID 6585Peracetic AcidHCID 111311612-[2-(3-Chlorophenyl)prop-2-enyl]-2-ethylindene-1,3-dione

Product 1

HCID 11046097Indanofan

Sources & evidence

ORD record
ord-54351125c55543b2a9988b3e7650aa49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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