Benzene → 5-Pentyl-2-(3',4'-difluorophenyl)-1,3-dioxane
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]([CH2:7][OH:8])[CH2:9][OH:10].[CH2:32]([Cl:33])[Cl:34].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:35]([Cl:36])([Cl:37])[Cl:38].[F:11][c:12]1[cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18][c:19]1[F:20].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][O:8][CH:15]([c:14]2[cH:13][c:12]([F:11])[c:19]([F:20])[cH:18][cH:17]2)[O:10][CH2:9]1Participants
8
Sources & evidence
- ORD record
- ord-2cbe95a397204fdeacd0b383a29192c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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