1,4-Dioxane → HCID 178448994, compound

HRID 1118120Notes

Reaction equation

HRID 1118120 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:1][CH:2]([CH2:3][N:4]([S:5](=[O:6])(=[O:7])[CH3:8])[CH2:9][CH:10]1[CH2:11][N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14][NH:15]1)[CH3:23].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:24][c:25]1[n:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][n:30]1>>[CH3:1][CH:2]([CH2:3][N:4]([S:5](=[O:6])(=[O:7])[CH3:8])[CH2:9][CH:10]1[CH2:11][N:12]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14][N:15]1[c:25]1[n:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][n:30]1)[CH3:23]

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 77148382Tert-butyl 3-[[2-methylpropyl(methylsulfonyl)amino]methyl]piperazine-1-carboxylateHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Product 1

HCID 178448994HCID 178448994, compound

Sources & evidence

ORD record
ord-51310c7424504e229abe81bbc810683f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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