Chloride → 1-[5-(1-hydroxy-2-methoxyethyl)-1,3-thiazol-2-yl]-5-[5-(methylsulfanyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 151352Notes

Reaction equation

HRID 151352 reaction equation
[CH2:42]([n+:43]1[c:44]([CH3:45])[c:46]([CH2:47][CH2:48][OH:49])[s:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]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].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[Cl-:41].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH:29][CH:30]([CH2:31][O:32][CH3:33])[c:34]1[cH:35][n:36][c:37]([CH:39]=[O:40])[s:38]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10]([CH2:11][CH2:12][C:39]([c:37]2[n:36][cH:35][c:34]([CH:30]([OH:29])[CH2:31][O:32][CH3:33])[s:38]2)=[O:40])=[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 593313384-[5-(methylsulfanyl)pyridin-2-yl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-oneHCID 593316105-(1-Hydroxy-2-methoxyethyl)-1,3-thiazole-2-carbaldehyde

Product 1

HCID 593315031-[5-(1-hydroxy-2-methoxyethyl)-1,3-thiazol-2-yl]-5-[5-(methylsulfanyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-645092c4c46149b9ac4b259dfa4b23bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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