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

HRID 2325782
Notes
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Reaction equation

HRID 2325782 reaction equation
[CH2:40]([n+:41]1[c:42]([CH3:43])[c:44]([CH2:45][CH2:46][OH:47])[s:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]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.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][CH2:37][OH:38].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl-:39].[n:21]1[c:22]([CH:27]=[O:28])[cH:23][cH:24][cH:25][cH:26]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([C:10]([CH2:11][CH2:12][C:27]([c:22]2[n:21][cH:26][cH:25][cH:24][cH:23]2)=[O:28])=[O:13])[CH2:14][CH:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:7][cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142732-PyridinecarboxaldehydeHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 59331338
4-[5-(methylsulfanyl)pyridin-2-yl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one

Product 1

HCID 593312195-[5-(methylsulfanyl)pyridin-2-yl]-1-(pyridin-2-yl)-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-7dd40e006e8844b992b1ebe1558bf12b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes