Chloride → 1-(5-Chloro-2-thiazolyl)-5-[5-(methylthio)-2-pyridinyl]-6-(tetrahydro-2H-pyran-4-yl)-1,4-hexanedione

HRID 2344110Notes

Reaction equation

HRID 2344110 reaction equation
[CH2:38]([n+:39]1[c:40]([CH3:41])[c:42]([CH2:43][CH2:44][OH:45])[s:46][cH:47]1)[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10]([CH:11]=[CH2:12])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:7][cH:8]1.[CH3:21][CH2:22][OH:23].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl-:37].[Cl:29][c:30]1[cH:31][n:32][c:33]([CH:35]=[O:36])[s:34]1.[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10]([CH2:11][CH2:12][C:35]([c:33]2[n:32][cH:31][c:30]([Cl:29])[s:34]2)=[O:36])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:7][cH:8]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 441196125-Chloro-1,3-thiazole-2-carbaldehydeHCID 593313384-[5-(methylsulfanyl)pyridin-2-yl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 593315881-(5-Chloro-2-thiazolyl)-5-[5-(methylthio)-2-pyridinyl]-6-(tetrahydro-2H-pyran-4-yl)-1,4-hexanedione

Sources & evidence

ORD record
ord-1c3cbb6511334edfb097d15981ee9da4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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