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

HRID 187072Notes

Reaction equation

HRID 187072 reaction equation
[CH3:13][c:14]1[cH:15][c:16]([CH3:17])[n:18]2[n:19][c:20]([CH:21]=[O:22])[n:23][c:24]2[n:25]1.[CH:26]1([C:31]2([CH2:39][CH2:40][c:41]3[c:42]([O:49][CH3:50])[cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[CH2:32][C:33]([OH:38])=[CH:34][C:35](=[O:37])[O:36]2)[CH2:27][CH2:28][CH2:29][CH2:30]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:51][c:52]1[cH:53][c:54]([CH2:55][CH2:56][C:57]2([CH:58]3[CH2:59][CH2:60][CH2:61][CH2:62]3)[O:63][C:64](=[O:65])[CH2:66][C:67](=[O:68])[CH2:69]2)[cH:70][c:71]([CH2:72][CH3:73])[c:74]1[O:75][CH3:76]>>[Cl:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([CH2:11][C:34]1=[C:33]([OH:38])[CH2:32][C:31]([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)([CH2:39][CH2:40][c:41]3[c:42]([O:49][CH3:50])[cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]3)[O:36][C:35]1=[O:37])[n:10]2

Participants

5

Reactant 4

HCID 236352265,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehydeHCID 587622136-[2-(3-Chloro-5-ethyl-4-methoxy-phenyl)-ethyl]6-cyclopentyl-dihydro-pyran-2,4-dioneHCID 587625546-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehydeHCID 688676766-Cyclopentyl-6-[2-(2,4-dimethoxy-phenyl)-ethyl]4-hydroxy-5,6-dihydro-pyran-2-one

Product 1

HCID 587626233-(6-Chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-6-cyclopentyl-6-[2-(2,4-dimethoxy-phenyl)-ethyl]-4-hydroxy-5,6-dihydro-pyran-2-one

Sources & evidence

ORD record
ord-45e695b1ee4d427bbbb84af872f80be5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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