Acetic acid 2-acetoxy-5-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-benzyl ester → 6-Cyclopentyl-6-[2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethyl]-dihydro-pyran-2,4-dione

HRID 685777Notes

Reaction equation

HRID 685777 reaction equation
[C:1]([O:2][c:3]1[cH:4][cH:5][c:6]([C:7]#[C:8][C:9]([CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)([OH:15])[CH2:16][C:17]2=[CH:25][C:23](=[O:24])[O:22][C:19]([CH3:20])([CH3:21])[O:18]2)[cH:26][c:27]1[CH2:28][O:29][C:30](=[O:31])[CH3:32])(=[O:33])[CH3:34].[CH:35]1([C:36]([OH:37])([CH2:38][C:39]2=[CH:47][C:45](=[O:46])[O:44][C:41]([CH3:42])([CH3:43])[O:40]2)[C:48]#[C:49][c:50]2[cH:51][cH:52][c:53]([C:54]([CH3:55])([CH3:56])[C:57]#[N:58])[c:59]([F:60])[cH:61]2)[CH2:62][CH2:63][CH2:64][CH2:65]1.[CH:66]1([C:71]2([CH2:79][CH2:80][c:81]3[cH:82][c:83]([CH2:88][O:89][CH3:90])[c:84]([OH:87])[cH:85][cH:86]3)[CH2:72][C:73](=[O:78])[CH2:74][C:75](=[O:77])[O:76]2)[CH2:67][CH2:68][CH2:69][CH2:70]1>>[CH:66]1([C:71]2([CH2:79][CH2:80][c:81]3[cH:82][c:83]([CH2:88][OH:89])[c:84]([OH:87])[cH:85][cH:86]3)[CH2:72][C:73](=[O:78])[CH2:74][C:75](=[O:77])[O:76]2)[CH2:67][CH2:68][CH2:69][CH2:70]1

Participants

4

Reactant 3

HCID 58762257Acetic acid 2-acetoxy-5-[3-cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-benzyl esterHCID 587626542-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrileHCID 587627336-Cyclopentyl-6-[2-(4-hydroxy-3-methoxymethyl-phenyl)-ethyl]-dihydro-pyran-2,4-dione

Product 1

HCID 587626006-Cyclopentyl-6-[2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethyl]-dihydro-pyran-2,4-dione

Sources & evidence

ORD record
ord-f13309944f764165b2ca45fab4237c6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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