Chloride → 1-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyridin-2-yl]-5-[3-fluoro-4-(methylsulfanyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 2349340Notes

Reaction equation

HRID 2349340 reaction equation
[CH2:46]([n+:47]1[c:48]([CH3:49])[c:50]([CH2:51][CH2:52][OH:53])[s:54][cH:55]1)[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:22][CH2:23][OH:24].[CH3:30][C:31]1([CH3:44])[O:32][CH2:33][CH:34]([c:36]2[cH:37][cH:38][c:39]([CH:42]=[O:43])[n:40][cH:41]2)[O:35]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[Cl-:45].[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH:12]=[CH2:13])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1>>[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11]([CH2:12][CH2:13][C:42]([c:39]2[cH:38][cH:37][c:36]([CH:34]3[CH2:33][O:32][C:31]([CH3:30])([CH3:44])[O:35]3)[cH:41][n:40]2)=[O:43])=[O:14])[CH2:15][CH:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8][CH3:9]

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 469414405-(2,2-Dimethyl-1,3-dioxolan-4-yl)pyridine-2-carbaldehydeHCID 593314814-[3-fluoro-4-(methylsulfanyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 593314311-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyridin-2-yl]-5-[3-fluoro-4-(methylsulfanyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-eb466eda83864447bda55433fcf761d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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