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

HRID 2313713Notes

Reaction equation

HRID 2313713 reaction equation
[CH2:50]([n+:51]1[c:52]([CH3:53])[c:54]([CH2:55][CH2:56][OH:57])[s:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:66][CH2:67][OH:68].[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH:15]=[CH2:16])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl-:49].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:25][CH:26]([CH2:27][O:28][CH3:29])[c:30]1[cH:31][n:32][c:33]([CH:35]=[O:36])[s:34]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14]([CH2:15][CH2:16][C:35]([c:33]3[n:32][cH:31][c:30]([CH:26]([OH:25])[CH2:27][O:28][CH3:29])[s:34]3)=[O:36])=[O:17])[CH2:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 702EthanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 593312584-[4-(cyclopropylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-oneHCID 593316105-(1-Hydroxy-2-methoxyethyl)-1,3-thiazole-2-carbaldehyde

Product 1

HCID 593314835-[4-(cyclopropylsulfonyl)phenyl]-1-[5-(1-hydroxy-2-methoxyethyl)-1,3-thiazol-2-yl]-6-(tetrahydro-2H-pyran-4-yl)hexane-1,4-dione

Sources & evidence

ORD record
ord-5d68dda242cc4a9a9323610f24a7c8df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…