Ammonium → 5-(2-(2-Aminoethoxy)-5-(isobutylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
Reaction equation
[C:8](=[O:9])([OH:10])[O-:11].[CH3:62][OH:63].[CH3:65][C:66]#[N:67].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:60][NH2:61].[NH4+:12].[O:13]=[C:14]1[N:15]([CH2:24][CH2:25][O:26][c:27]2[c:28](-[c:40]3[cH:41][cH:42][c:43]4[c:44]([c:45]([C:55](=[O:56])[NH:57][CH3:58])[c:46](-[c:48]5[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]5)[o:47]4)[cH:59]3)[cH:29][c:30]([C:33]([NH:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32]2)[C:22](=[O:23])[c:17]2[c:16]1[cH:21][cH:20][cH:19][cH:18]2.[OH2:64]>>[NH2:15][CH2:24][CH2:25][O:26][c:27]1[c:28](-[c:40]2[cH:41][cH:42][c:43]3[c:44]([c:45]([C:55](=[O:56])[NH:57][CH3:58])[c:46](-[c:48]4[cH:49][cH:50][c:51]([F:54])[cH:52][cH:53]4)[o:47]3)[cH:59]2)[cH:29][c:30]([C:33]([NH:34][CH2:35][CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-953de3867c5e42a2a1861464c12df782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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