1,4-Dioxane → 1,1,1-trifluoro-2-[2-[2-[(6-phenylmethoxy-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]pyrimidin-5-yl]propan-2-ol
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]2[CH2:11][O:12][CH2:13][CH:14]([CH2:15]1)[N:16]2[CH2:17][CH:18]1[NH:19][CH2:20][CH2:21][N:22]([S:24](=[O:25])(=[O:26])[c:27]2[s:28][cH:29][cH:30][cH:31]2)[CH2:23]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:32][c:33]1[n:34][cH:35][c:36]([C:39]([C:40]([F:41])([F:42])[F:43])([CH3:44])[OH:45])[cH:37][n:38]1.[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]2[CH2:11][O:12][CH2:13][CH:14]([CH2:15]1)[N:16]2[CH2:17][CH:18]1[N:19]([c:33]2[n:34][cH:35][c:36]([C:39]([C:40]([F:41])([F:42])[F:43])([CH3:44])[OH:45])[cH:37][n:38]2)[CH2:20][CH2:21][N:22]([S:24](=[O:25])(=[O:26])[c:27]2[s:28][cH:29][cH:30][cH:31]2)[CH2:23]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-79a3b16ae3c8459da7382edc9aa1ebb9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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