5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde → 1-(4-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-2-fluoro-phenyl)-cyclopentanecarbonitrile

HRID 1543376Notes

Reaction equation

HRID 1543376 reaction equation
[CH2:106]([c:107]1[nH:108][c:109]([CH:110]=[O:111])[c:112]([CH3:113])[n:114]1)[CH3:115].[CH3:93][c:94]1[n:95][c:96]2[n:97]([c:98]([CH3:100])[cH:99]1)[n:101][c:102]([CH:104]=[O:105])[n:103]2.[CH:1]1([C:2]2([CH2:3][CH2:4][c:5]3[cH:6][cH:7][c:8]([C:9]([CH3:10])([CH3:11])[C:12]#[N:13])[c:14]([F:15])[cH:16]3)[CH2:17][C:18]([OH:19])=[C:20]([CH2:21][c:22]3[nH:23][c:24]([CH2:25][CH3:26])[n:27][c:28]3[CH3:29])[C:30](=[O:31])[O:32]2)[CH2:33][CH2:34][CH2:35][CH2:36]1.[CH:37]1([C:42]2([CH2:50][CH2:51][c:52]3[cH:53][c:54]([F:65])[c:55]([C:58]4([C:63]#[N:64])[CH2:59][CH2:60][CH2:61][CH2:62]4)[cH:56][cH:57]3)[O:43][C:44](=[O:49])[CH2:45][C:46](=[O:48])[CH2:47]2)[CH2:38][CH2:39][CH2:40][CH2:41]1.[CH:66]1([C:67]2([CH2:68][CH2:69][c:70]3[cH:71][cH:72][c:73]([C:74]([CH3:75])([CH3:76])[C:77]#[N:78])[c:79]([F:80])[cH:81]3)[CH2:82][C:83]([OH:84])=[CH:85][C:86](=[O:87])[O:88]2)[CH2:89][CH2:90][CH2:91][CH2:92]1>>[CH:37]1([C:42]2([CH2:50][CH2:51][c:52]3[cH:53][c:54]([F:65])[c:55]([C:58]4([C:63]#[N:64])[CH2:59][CH2:60][CH2:61][CH2:62]4)[cH:56][cH:57]3)[O:43][C:44](=[O:49])[C:45]([CH2:104][c:102]3[n:101][n:97]4[c:96]([n:95][c:94]([CH3:93])[cH:99][c:98]4[CH3:100])[n:103]3)=[C:46]([OH:48])[CH2:47]2)[CH2:38][CH2:39][CH2:40][CH2:41]1

Participants

6

Reactant 5

HCID 236352265,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehydeHCID 587623021-{4-[2-(2-Cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-2-fluoro-phenyl}-cyclopentanecarbonitrileHCID 688686862-{4-[2-(2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl]-2-methylpropanenitrileHCID 1784376152-[4-(2-{2-cyclopentyl-5-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)-2-fluorophenyl]-2-methylpropanenitrileHCID 178437630HCID 178437630, compound

Product 1

HCID 587624291-(4-{2-[2-Cyclopentyl-5-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-2-fluoro-phenyl)-cyclopentanecarbonitrile

Sources & evidence

ORD record
ord-77c2ddaa075144468e890885b9d0829f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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