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

HRID 1152322Notes

Reaction equation

HRID 1152322 reaction equation
[CH2:49]([n+:50]1[c:51]([CH3:52])[c:53]([CH2:54][CH2:55][OH:56])[s:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:26][CH2:27][OH:28].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[C:21]([CH:22]=[CH:23][CH3:24])=[O:25])[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:48].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH:34][CH:35]([C:36]([CH3:37])([CH3:38])[OH:39])[c:40]1[cH:41][cH:42][c:43]([CH:46]=[O:47])[n:44][cH:45]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[C:21]([CH2:22][CH:23]([CH3:24])[C:46]([c:43]3[cH:42][cH:41][c:40]([CH:35]([OH:34])[C:36]([CH3:37])([CH3:38])[OH:39])[cH:45][n:44]3)=[O:47])=[O:25])[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 593314885-(1,2-Dihydroxy-2-methylpropyl)pyridine-2-carbaldehydeHCID 684311882-[4-(cyclopropylsulfonyl)phenyl]-1-(tetrahydro-2H-pyran-4-yl)hex-4-en-3-one

Product 1

HCID 593314295-[4-(cyclopropylsulfonyl)phenyl]-1-[5-(1,2-dihydroxy-2-methylpropyl)pyridin-2-yl]-2-methyl-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-6d173b23d6584947a573f4d37f6b1000
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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