Acetic Acid → Methyl 5-[{4-[(4-ethylphenyl)ethynyl]benzyl}(hexyl)amino]-2-fluorobenzoate
Reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[cH:7][cH:8]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][C:65](=[O:66])[OH:67].[CH:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])=[O:37].[NH2:19][c:20]1[cH:21][cH:22][c:23]([F:30])[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29]1.[Na+:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[OH2:68]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:9]#[C:10][c:11]2[cH:12][cH:13][c:14]([CH2:15][N:19]([c:20]3[cH:21][cH:22][c:23]([F:30])[c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29]3)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:17][cH:18]2)[cH:7][cH:8]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-5291fb2307b84fe39b45b50cb5cf104f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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