1,4-Dioxane → 1,1,1-Trifluoro-2-(2-(2-(1-propyn-1-yl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)-5-pyrimidinyl)-2-propanol

HRID 2144078Notes

Reaction equation

HRID 2144078 reaction equation
[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([S:10](=[O:11])(=[O:12])[c:13]2[s:14][cH:15][cH:16][cH:17]2)[CH2:7][CH2:8][NH:9]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:18][c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([CH3:30])[OH:31])[cH:23][n:24]1.[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([S:10](=[O:11])(=[O:12])[c:13]2[s:14][cH:15][cH:16][cH:17]2)[CH2:7][CH2:8][N:9]1[c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([CH3:30])[OH:31])[cH:23][n:24]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 665840073-(1-Propyn-1-yl)-1-(2-thiophenylsulfonyl)piperazineHCID 866703602-(2-Chloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 665824391,1,1-Trifluoro-2-(2-(2-(1-propyn-1-yl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)-5-pyrimidinyl)-2-propanol

Sources & evidence

ORD record
ord-19069e7039d947399a743f5436f0b549
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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