Bromide ion → 3,4-Difluoro-5-(4-pentylphenyl)toluene
Reaction equation
[Br-:32].[C:1](=[O:2])([O-:3])[O-:4].[CH2:17]([CH2:18][CH2:19][CH2:20][CH3:21])[c:22]1[cH:23][cH:24][c:25]([O:28][B:29]([OH:30])[OH:31])[cH:26][cH:27]1.[CH2:33]([N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[I:7][c:8]1[cH:9][c:10]([CH3:16])[cH:11][c:12]([F:15])[c:13]1[F:14].[K+:5].[K+:6]>>[c:8]1(-[c:25]2[cH:24][cH:23][c:22]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:27][cH:26]2)[cH:9][c:10]([CH3:16])[cH:11][c:12]([F:15])[c:13]1[F:14]Participants
8
Sources & evidence
- ORD record
- ord-a99fa4227602447b901a03212fc3444c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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