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-hydroxymethyl-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

HRID 101453Notes

Reaction equation

HRID 101453 reaction equation
[CH2:65]([c:66]1[nH:67][c:68]([CH:69]=[O:70])[c:71]([CH3:72])[n:73]1)[CH3:74].[CH3:52][c:53]1[n:54][c:55]2[n:56]([c:57]([CH3:59])[cH:58]1)[n:60][c:61]([CH:63]=[O:64])[n:62]2.[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH2:23][OH:24])[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:25]1([C:26]2([CH2:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([C:33]([CH3:34])([CH3:35])[C:36]#[N:37])[c:38]([F:39])[cH:40]3)[CH2:41][C:42]([OH:43])=[CH:44][C:45](=[O:46])[O:47]2)[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([CH2:23][OH:24])[c:19]([OH:22])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([CH2:63][c:61]3[n:60][n:56]4[c:55]([n:54][c:53]([CH3:52])[cH:58][c:57]4[CH3:59])[n:62]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 587626006-Cyclopentyl-6-[2-(4-hydroxy-3-hydroxymethyl-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 587623596-Cyclopentyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-[2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Sources & evidence

ORD record
ord-b4ebc74f6ce54427afe6e0f40fc688c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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