1,4-Dioxane → HCID 178439774, compound

HRID 1542788Notes

Reaction equation

HRID 1542788 reaction equation
[CH3:1][CH:2]([CH3:3])[CH:4]1[C:5](=[O:28])[NH:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[NH:12][CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[CH2:16]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:29][c:30]1[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([C:41]([F:42])([F:43])[F:44])[OH:45])[cH:34][n:35]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[CH3:1][CH:2]([CH3:3])[CH:4]1[C:5](=[O:28])[NH:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[N:12]([c:30]2[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([C:41]([F:42])([F:43])[F:44])[OH:45])[cH:34][n:35]2)[CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[CH2:16]1

Participants

5

Reactant 4

HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 178439773HCID 178439773, compound

Product 1

HCID 178439774HCID 178439774, compound

Sources & evidence

ORD record
ord-38a24dcb54f5403dbc9c256bed643c8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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