Chloride → S-t-butyl 5-phenyl-3,5-dihydroxypentanethioate

HRID 195947Notes

Reaction equation

HRID 195947 reaction equation
[C:20]([BH3-:21])#[N:22].[CH3:24][CH:25]([CH3:26])[O-:27].[CH3:28][CH:29]([CH3:30])[O-:31].[CH3:32][CH:33]([CH3:34])[O-:35].[Cl-:36].[Na+:23].[Ti+4:37].[c:1]1([CH:7]([CH2:8][C:9]([CH2:10][C:11]([S:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])=[O:18])[OH:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH:9]([CH2:10][C:11]([S:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[OH:18])[OH:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 923Sodium ionHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 3260420Isopropanolate3×HCID 19003813S-t-butyl 5-Phenyl-5-hydroxy-3-oxopentanethioate

Product 1

HCID 19003820S-t-butyl 5-phenyl-3,5-dihydroxypentanethioate

Sources & evidence

ORD record
ord-b29ad122def74a079c2bcca354ee8e4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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