Chloride → t-Butyl 7-phenyl-3,5-dihydroxy-6-heptenoate

HRID 148994Notes

Reaction equation

HRID 148994 reaction equation
[C:22]([BH3-:23])#[N:24].[CH3:26][CH:27]([CH3:28])[O-:29].[CH3:30][CH:31]([CH3:32])[O-:33].[CH3:34][CH:35]([CH3:36])[O-:37].[Cl-:38].[Na+:25].[Ti+4:39].[c:1]1([CH:7]=[CH:8][CH:9]([CH2:10][C:11]([CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[OH:21])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]=[CH:8][CH:9]([CH2:10][CH:11]([CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[OH:20])[OH:21])[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 53985335t-Butyl 7-phenyl-5-hydroxy-3-oxo-6-heptenoate

Product 1

HCID 53722944t-Butyl 7-phenyl-3,5-dihydroxy-6-heptenoate

Sources & evidence

ORD record
ord-a76261365c144e76857853c50d930e96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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