Dimethyl Sulfoxide → 3-[(6-chloro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-6-cyclopentyl-6-[2-(3,5-diethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

HRID 1133531Notes

Reaction equation

HRID 1133531 reaction equation
[CH3:39][S:40]([CH3:41])=[O:42].[CH:13]1([C:18]2([CH2:26][CH2:27][c:28]3[cH:29][c:30]([CH2:37][CH3:38])[c:31]([OH:36])[c:32]([CH2:34][CH3:35])[cH:33]3)[CH2:19][C:20](=[O:25])[CH2:21][C:22](=[O:24])[O:23]2)[CH2:14][CH2:15][CH2:16][CH2:17]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:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][c:9]([CH2:11][C:21]1=[C:20]([OH:25])[CH2:19][C:18]([CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)([CH2:26][CH2:27][c:28]3[cH:29][c:30]([CH2:37][CH3:38])[c:31]([OH:36])[c:32]([CH2:34][CH3:35])[cH:33]3)[O:23][C:22]1=[O:24])[n:10]2

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 587625206-cyclopentyl-6-[2-(3,5-diethyl-4-hydroxyphenyl)ethyl]dihydro-2H-pyran-2,4(3H)-dioneHCID 587625546-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

Product 1

HCID 587622483-[(6-chloro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-6-cyclopentyl-6-[2-(3,5-diethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

Sources & evidence

ORD record
ord-3dcceadee788482bb113756cb7247b89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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