Water → 3-[2,3'-Diisobutyl-4'-(trifluoromethylsulfonyloxy)-4-biphenylyl]propanenitrile
Reaction equation
[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[OH2:41].[OH:16][c:17]1[c:18]([CH2:37][CH:38]([CH3:39])[CH3:40])[cH:19][c:20](-[c:23]2[c:24]([CH2:33][CH:34]([CH3:35])[CH3:36])[cH:25][c:26]([CH2:29][CH2:30][C:31]#[N:32])[cH:27][cH:28]2)[cH:21][cH:22]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[F:1][C:2]([F:3])([F:4])[S:5](=[O:6])(=[O:7])[O:8][c:17]1[c:18]([CH2:37][CH:38]([CH3:39])[CH3:40])[cH:19][c:20](-[c:23]2[c:24]([CH2:33][CH:34]([CH3:35])[CH3:36])[cH:25][c:26]([CH2:29][CH2:30][C:31]#[N:32])[cH:27][cH:28]2)[cH:21][cH:22]1Participants
5
Sources & evidence
- ORD record
- ord-1f12331d807241f8b212c5cacadeaf17
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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