Bromide ion → 1-Fluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]but-1-enyl]benzene
Reaction equation
[Br-:1].[CH2:36]([CH2:37][CH2:38][CH2:39][CH3:40])[CH:41]1[CH2:42][CH2:43][CH:44]([CH:47]2[CH2:48][CH2:49][CH:50]([CH2:53][CH:54]=[O:55])[CH2:51][CH2:52]2)[CH2:45][CH2:46]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[F:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][P+:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29]1.[K+:35]>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[CH:8][CH2:54][CH2:53][CH:50]2[CH2:49][CH2:48][CH:47]([CH:44]3[CH2:43][CH2:42][CH:41]([CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[CH2:46][CH2:45]3)[CH2:52][CH2:51]2)[cH:28][cH:29]1Participants
7
Sources & evidence
- ORD record
- ord-e2aed943360b4a72a69498f0153e7efd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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