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

HRID 1550070Notes

Reaction equation

HRID 1550070 reaction equation
[CH2:51]([n+:52]1[c:53]([CH3:54])[c:55]([CH2:56][CH2:57][OH:58])[s:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:67][CH2:68][OH:69].[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-:50].[F:25][C:26]([CH:27]([OH:28])[c:29]1[cH:30][n:31][c:32]([CH:34]=[O:35])[s:33]1)([F:36])[F:37].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]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:34]([c:32]3[n:31][cH:30][c:29]([CH:27]([C:26]([F:25])([F:36])[F:37])[OH:28])[s:33]3)=[O:35])=[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 593313142-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-

Product 1

HCID 593315505-[4-(cyclopropylsulfonyl)phenyl]-6-(tetrahydro-2H-pyran-4-yl)-1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]hexane-1,4-dione

Sources & evidence

ORD record
ord-ae0b8d80225f4418b2efb0ac45990941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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