Ammonium → 2-(4-tert-butyl-N-methylanilino)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[cH:21][cH:22][c:23]([N:24]([CH3:25])[CH2:26][C:27]#[N:28])[cH:29][cH:30]1.[Cl-:31].[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][cH:10][cH:11]1)([F:12])[F:13].[K+:15].[NH4+:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:14]>>[F:1][C:2]([c:3]1[c:4]([C:5]([OH:7])=[C:26]([N:24]([c:23]2[cH:22][cH:21][c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:30][cH:29]2)[CH3:25])[C:27]#[N:28])[cH:8][cH:9][cH:10][cH:11]1)([F:12])[F:13]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-a9bce35faaa44b68b83d1a199a3caa36
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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