5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde → 6-Cyclopentyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-[2-(4-hydroxy-3-methoxymethyl-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

HRID 671633Notes

Reaction equation

HRID 671633 reaction equation
[CH2:66]([c:67]1[nH:68][c:69]([CH:70]=[O:71])[c:72]([CH3:73])[n:74]1)[CH3:75].[CH3:53][c:54]1[n:55][c:56]2[n:57]([c:58]([CH3:60])[cH:59]1)[n:61][c:62]([CH:64]=[O:65])[n:63]2.[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH2:23][O:24][CH3:25])[c:19]([OH:22])[cH:20][cH:21]3)[CH2:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:26]1([C:27]2([CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([C:34]([CH3:35])([CH3:36])[C:37]#[N:38])[c:39]([F:40])[cH:41]3)[CH2:42][C:43]([OH:44])=[CH:45][C:46](=[O:47])[O:48]2)[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH2:23][O:24][CH3:25])[c:19]([OH:22])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([CH2:64][c:62]3[n:61][n:57]4[c:56]([n:55][c:54]([CH3:53])[cH:59][c:58]4[CH3:60])[n:63]3)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 236352265,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehydeHCID 587627336-Cyclopentyl-6-[2-(4-hydroxy-3-methoxymethyl-phenyl)-ethyl]-dihydro-pyran-2,4-dioneHCID 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 587625246-Cyclopentyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-[2-(4-hydroxy-3-methoxymethyl-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Sources & evidence

ORD record
ord-53c3cfc8013a41d29f193bd498440a8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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