Benzoic Acid → 2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(2,5-dioxo-imidazolidin-4-ylidenemethyl)-pyrazin-2-yl]-propionamide
Reaction equation
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:52][CH2:53][OH:54].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][cH:18][c:19]([CH:22]=[O:23])[n:20][cH:21]2)[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[O:30]=[C:31]1[CH2:32][NH:33][C:34](=[O:35])[NH:36]1.[OH:43][C:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][cH:18][c:19]([CH:22]=[C:32]3[C:31](=[O:30])[NH:36][C:34](=[O:35])[NH:33]3)[n:20][cH:21]2)[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-52eee81e8ac1496581be584f9f234553
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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