Ethyl Acetate → 3-(3,5-Difluoro-phenyl)-2-[(2-isoquinolin-3-yl-1h-benzoimidazole-4-carbonyl)-amino]-propionic acid methyl ester
Reaction equation
[CH3:47][O:48][C:49]([CH:50]([CH2:51][c:52]1[cH:53][c:54]([F:59])[cH:55][c:56]([F:58])[cH:57]1)[NH2:60])=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[cH:1]1[n:2][c:3](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[C:20](=[O:21])[OH:22])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[cH:1]1[n:2][c:3](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[C:20](=[O:21])[NH:60][CH:50]([C:49]([O:48][CH3:47])=[O:61])[CH2:51][c:52]2[cH:53][c:54]([F:59])[cH:55][c:56]([F:58])[cH:57]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-302f0dd72ba043f092173cfebd2dd8e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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