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

HRID 687474Notes

Reaction equation

HRID 687474 reaction equation
[CH2:13]([c:14]1[nH:15][c:16]([CH:17]=[O:18])[c:19]([CH3:20])[n:21]1)[CH3:22].[CH:50]1([C:51]2([CH2:52][CH2:53][c:54]3[cH:55][cH:56][c:57]([C:58]([CH3:59])([CH3:60])[C:61]#[N:62])[c:63]([F:64])[cH:65]3)[CH2:66][C:67]([OH:68])=[CH:69][C:70](=[O:71])[O:72]2)[CH2:73][CH2:74][CH2:75][CH2:76]1.[Cl: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.[Cl:23][c:24]1[c:25]([C:45]([C:46]#[N:47])([CH3:48])[CH3:49])[cH:26][cH:27][c:28]([CH2:30][CH2:31][C:32]2([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[O:33][C:34](=[O:39])[CH2:35][C:36](=[O:38])[CH2:37]2)[cH:29]1>>[Cl:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([CH2:11][C:35]1=[C:36]([OH:38])[CH2:37][C:32]([CH2:31][CH2:30][c:28]3[cH:27][cH:26][c:25]([C:45]([C:46]#[N:47])([CH3:48])[CH3:49])[c:24]([Cl:23])[cH:29]3)([CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44]3)[O:33][C:34]1=[O:39])[n:10]2

Participants

5

Reactant 4

HCID 498714082-{2-Chloro-4-[2-(2-cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-phenyl}-2-methyl-propionitrileHCID 587625546-Chloro-[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 587623432-(2-Chloro-4-{2-[5-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2-cyclopentyl-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-ethyl}-phenyl)-2-methyl-propionitrile

Sources & evidence

ORD record
ord-cd62e8884bff4cd9885e8c79f5312bff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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