1,4-Dioxane → 2-(2-(4-((6-Chloro-3-pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)-5-pyrimidinyl)-1,1,1,3,3,3-hexafluoro-2-propanol

HRID 2136422Notes

Reaction equation

HRID 2136422 reaction equation
[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:18][c:19]1[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[N:28]2[CH2:29][CH:30]([C:34]#[C:35][CH3:36])[NH:31][CH2:32][CH2:33]2)[cH:23][n:24]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][n:7]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[c:2]1([N:31]2[CH:30]([C:34]#[C:35][CH3:36])[CH2:29][N:28]([S:25]([c:22]3[cH:21][cH:20][c:19]([Cl:18])[n:24][cH:23]3)(=[O:26])=[O:27])[CH2:33][CH2:32]2)[n:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[cH:6][n:7]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 772307671-((6-Chloro-3-pyridinyl)sulfonyl)-3-(1-propyn-1-yl)piperazineHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Product 1

HCID 866704172-(2-(4-((6-Chloro-3-pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)-5-pyrimidinyl)-1,1,1,3,3,3-hexafluoro-2-propanol

Sources & evidence

ORD record
ord-ee3150a4e72b49148774f18971f547d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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