Water → 4-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenoxy}-benzonitrile
Reaction equation
[CH2:13]([N+:14]([CH2:15][CH2:16][CH2:17][CH3:18])([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[Cl:30][c:31]1[cH:32][c:33]([O:34][c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[cH:43][cH:44][c:45]1[CH:46]([C:47](=[O:48])[c:49]1[cH:50][c:51]([CH3:55])[n:52][cH:53][cH:54]1)[CH3:56].[F-:12].[F:1][C:2]([F:3])([F:4])[Si:5]([CH3:6])([CH3:7])[CH3:8].[OH2:10].[OH2:11].[OH2:9]>>[F:1][C:2]([F:3])([F:4])[C:47]([CH:46]([c:45]1[c:31]([Cl:30])[cH:32][c:33]([O:34][c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[cH:43][cH:44]1)[CH3:56])([OH:48])[c:49]1[cH:50][c:51]([CH3:55])[n:52][cH:53][cH:54]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a2e1320dd3ed44b5919914a5a43eafb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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