1-{4-[2-(2-Cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-2-fluoro-phenyl}-cyclopentanecarbonitrile → 1-(4-{2-[2-Cyclopentyl-4-hydroxy-5-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-2-fluoro-phenyl)-cyclopentanecarbonitrile

HRID 212802Notes

Reaction equation

HRID 212802 reaction equation
[CH2:13]([c:14]1[nH:15][c:16]([CH:17]=[O:18])[c:19]([CH3:20])[n:21]1)[CH3:22].[CH3:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([CH:11]=[O:12])[n:10]2.[CH:23]1([C:28]2([CH2:36][CH2:37][c:38]3[cH:39][c:40]([F:51])[c:41]([C:44]4([C:49]#[N:50])[CH2:45][CH2:46][CH2:47][CH2:48]4)[cH:42][cH:43]3)[O:29][C:30](=[O:35])[CH2:31][C:32](=[O:34])[CH2:33]2)[CH2:24][CH2:25][CH2:26][CH2:27]1.[CH:52]1([C:53]2([CH2:54][CH2:55][c:56]3[cH:57][cH:58][c:59]([C:60]([CH3:61])([CH3:62])[C:63]#[N:64])[c:65]([F:66])[cH:67]3)[CH2:68][C:69]([OH:70])=[CH:71][C:72](=[O:73])[O:74]2)[CH2:75][CH2:76][CH2:77][CH2:78]1>>[CH3:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([CH2:11][C:31]1=[C:32]([OH:34])[CH2:33][C:28]([CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)([CH2:36][CH2:37][c:38]3[cH:39][c:40]([F:51])[c:41]([C:44]4([C:49]#[N:50])[CH2:45][CH2:46][CH2:47][CH2:48]4)[cH:42][cH:43]3)[O:29][C:30]1=[O:35])[n:10]2

Participants

5

Reactant 4

HCID 587623021-{4-[2-(2-Cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-2-fluoro-phenyl}-cyclopentanecarbonitrileHCID 587626196-Methyl-[1,2,4]triazolo[1,5-A]pyrimidine-2-carbaldehydeHCID 688686862-{4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrileHCID 178437630HCID 178437630, compound

Product 1

HCID 587627271-(4-{2-[2-Cyclopentyl-4-hydroxy-5-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-2-fluoro-phenyl)-cyclopentanecarbonitrile

Sources & evidence

ORD record
ord-41d993a58985468d96bccf34554fb432
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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