5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde → 2-[2-Chloro-4-(2-{2-cyclopentyl-5-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)phenyl]-2-methylpropanenitrile

HRID 676414Notes

Reaction equation

HRID 676414 reaction equation
[CH3:54][n:55]1[n:56][c:57]([CH3:62])[n:58][c:59]1[CH:60]=[O:61].[CH3:63][c:64]1[cH:65][c:66]([CH3:67])[n:68]2[n:69][c:70]([CH:71]=[O:72])[n:73][c:74]2[n:75]1.[Cl:1][c:2]1[c:3]([C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[cH:4][cH:5][c:6]([CH2:8][CH2:9][C:10]2([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[O:11][C:12](=[O:17])[CH2:13][C:14](=[O:16])[CH2:15]2)[cH:7]1.[Cl:28][c:29]1[cH:30][c:31]([CH2:32][CH2:33][C:34]2([CH:35]3[CH2:36][CH2:37][CH2:38][CH2:39]3)[O:40][C:41](=[O:42])[CH2:43][C:44](=[O:45])[CH2:46]2)[cH:47][c:48]([CH2:49][CH3:50])[c:51]1[O:52][CH3:53]>>[Cl:1][c:2]1[c:3]([C:23]([C:24]#[N:25])([CH3:26])[CH3:27])[cH:4][cH:5][c:6]([CH2:8][CH2:9][C:10]2([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[O:11][C:12](=[O:17])[C:13]([CH2:60][c:59]3[n:55]([CH3:54])[n:56][c:57]([CH3:62])[n:58]3)=[C:14]([OH:16])[CH2:15]2)[cH:7]1

Participants

5

Reactant 4

HCID 236352265,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehydeHCID 498714082-{2-Chloro-4-[2-(2-cyclopentyl-4,6-dioxo-tetrahydro-pyran-2-yl)-ethyl]-phenyl}-2-methyl-propionitrileHCID 587622136-[2-(3-Chloro-5-ethyl-4-methoxy-phenyl)-ethyl]6-cyclopentyl-dihydro-pyran-2,4-dioneHCID 834786731,3-dimethyl-1H-1,2,4-triazole-5-carbaldehyde

Product 1

HCID 587641942-[2-Chloro-4-(2-{2-cyclopentyl-5-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]-4-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl}ethyl)phenyl]-2-methylpropanenitrile

Sources & evidence

ORD record
ord-37770148a0dd4787902917e3eef11ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…