Chloride → 1-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-5-[5-(methylsulfanyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

HRID 177864Notes

Reaction equation

HRID 177864 reaction equation
[CH2:48]([n+:49]1[c:50]([CH3:51])[c:52]([CH2:53][CH2:54][OH:55])[s:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]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.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:64][CH2:65][OH:66].[Cl-:47].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH:21][CH:22]([C:23]([CH3:24])([CH3:25])[OH:26])[c:27]1[cH:28][cH:29][c:30]([CH:33]=[O:34])[n:31][cH:32]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10]([CH2:11][CH2:12][C:33]([c:30]2[cH:29][cH:28][c:27]([CH:22]([OH:21])[C:23]([CH3:24])([CH3:25])[OH:26])[cH:32][n:31]2)=[O:34])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:7][cH:8]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 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 593314885-(1,2-Dihydroxy-2-methylpropyl)pyridine-2-carbaldehyde

Product 1

HCID 593312671-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-5-[5-(methylsulfanyl)pyridin-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-f5122ff6d26542189b77d4d614d0c72a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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