1,4-Dioxane → HCID 178457095, compound

HRID 101679Notes

Reaction equation

HRID 101679 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:1][CH:2]([CH3:3])[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.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:23][c:24]1[n:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:28][n:29]1>>[CH3:1][CH:2]([CH3:3])[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:24]1[n:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:28][n:29]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 77148628Tert-butyl 3-[[methylsulfonyl(propan-2-yl)amino]methyl]piperazine-1-carboxylateHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Product 1

HCID 178457095HCID 178457095, compound

Sources & evidence

ORD record
ord-cef1dfc37b764ac292a227e1cfd4e0e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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