Bromide ion → beta-[trans-4-[trans-4-(2-(1,3-Dioxolan-2-yl)ethyl)cyclohexyl]cyclohexyl]-4-fluorostyrene

HRID 192797

Reaction equation

HRID 192797 reaction equation
[Br-:1].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[CH3:55][O:56][C:57]([CH3:58])([CH3:59])[CH3:60].[F:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][P+:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1.[O:29]1[CH:30]([CH2:34][CH2:35][CH:36]2[CH2:37][CH2:38][CH:39]([CH:42]3[CH2:43][CH2:44][CH:45]([CH:48]=[O:49])[CH2:46][CH2:47]3)[CH2:40][CH2:41]2)[O:31][CH2:32][CH2:33]1>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:48][CH:45]2[CH2:44][CH2:43][CH:42]([CH:39]3[CH2:38][CH2:37][CH:36]([CH2:35][CH2:34][CH:30]4[O:29][CH2:33][CH2:32][O:31]4)[CH2:41][CH2:40]3)[CH2:47][CH2:46]2)[cH:27][cH:28]1

Participants

6

Reactant 5

HCID 259Bromide ionHCID 3283Diethyl EtherHCID 15413tert-Butyl methyl etherHCID 2733555(4-Fluorophenyl)methyl-triphenylphosphaniumHCID 19380572trans-4-[trans-4-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexyl]cyclohexanecarboxaldehyde

Product 1

HCID 54016409beta-[trans-4-[trans-4-(2-(1,3-Dioxolan-2-yl)ethyl)cyclohexyl]cyclohexyl]-4-fluorostyrene

Sources & evidence

ORD record
ord-5981079512f743c2a2b843500f7be4c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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