Hexanal → Methyl 5-[{4-[(4-tert-butylphenyl)ethynyl]benzyl}(hexyl)amino]-2-fluorobenzoate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])=[O:39].[NH2:21][c:22]1[cH:23][cH:24][c:25]([F:32])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:21]([c:22]3[cH:23][cH:24][c:25]([F:32])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31]3)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[cH:19][cH:20]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-85d3ae1ff2974535802d090aedab6276
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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