Bromide ion → 5-[2-tert-butyl-4-(2-hydroxyethoxy)-5-methylphenyl]sulfanyl-2,2-dicyclopentyl-4-hydroxy-3H-pyran-6-one
Reaction equation
[Br-:69].[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[c:24]([S:34][S:35]([c:36]2[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]2)(=[O:43])=[O:44])[cH:25][c:26]([CH3:33])[c:27]([O:29][CH2:30][CH2:31][OH:32])[cH:28]1.[C:45]([c:46]1[cH:47][c:48]([CH2:49][OH:50])[c:51]([CH3:52])[cH:53][c:54]1[S:55][S:56]([c:57]1[cH:58][cH:59][c:60]([CH3:61])[cH:62][cH:63]1)(=[O:64])=[O:65])([CH3:66])([CH3:67])[CH3:68].[CH:1]1([C:6]2([CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[CH2:7][C:8]([OH:13])=[CH:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[K+:70]>>[CH:1]1([C:6]2([CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[CH2:7][C:8]([OH:13])=[C:9]([S:34][c:24]3[c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:28][c:27]([O:29][CH2:30][CH2:31][OH:32])[c:26]([CH3:33])[cH:25]3)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-7d887c15ac844a71892b2366acd3de52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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