Sodium ion → 6-phenyl-5-[4-[5-(4,4,4-trifluorobutylsulfinyl)pentoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol

HRID 104694Notes

Reaction equation

HRID 104694 reaction equation
[Cl:39][c:40]1[cH:41][cH:42][cH:43][c:44]([C:45]([O:46][OH:48])=[O:47])[cH:49]1.[Na+:55].[Na+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[S:50]([O-:51])([O-:52])(=[O:53])=[S:54].[c:1]1([C:7]2=[C:8]([c:19]3[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][S:31][CH2:32][CH2:33][CH2:34][C:35]([F:36])([F:37])[F:38])[cH:23][cH:24]3)[c:9]3[c:10]([cH:14][c:15]([OH:18])[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[C:8]([c:19]3[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][S:31]([CH2:32][CH2:33][CH2:34][C:35]([F:36])([F:37])[F:38])=[O:47])[cH:23][cH:24]3)[c:9]3[c:10]([cH:14][c:15]([OH:18])[cH:16][cH:17]3)[CH2:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 8028TetrahydrofuranHCID 70297m-Chloroperbenzoic acidHCID 21868899HCID 21868899, compound

Product 1

HCID 218688966-phenyl-5-[4-[5-(4,4,4-trifluorobutylsulfinyl)pentoxy]phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-ol

Sources & evidence

ORD record
ord-c8902e2f68cf4afaa597b41cad215a34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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