Bicarbonate Ion → Methyl 2-fluoro-5-[{4-[(4-fluorophenyl)ethynyl]benzyl)-(hexyl)amino]benzoate
Reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[F:19][c:20]1[cH:21][cH:22][c:23]([C:26]#[C:27][c:28]2[cH:29][cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35]2)[cH:24][cH:25]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([NH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:10][cH:11]1.[Na+:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([N:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:32][c:31]2[cH:30][cH:29][c:28]([C:27]#[C:26][c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]3)[cH:35][cH:34]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-9c746e1feb644a6abe8dfd7fc41ce966
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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