Acetic Acid → 3-[[1-methyl-2-[[4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
Reaction equation
[CH2:57]([O:58][CH2:59][CH3:60])[CH3:61].[CH3:50][OH:51].[CH3:52][C:53](=[O:54])[OH:55].[Na+:49].[OH-:48].[OH2:56].[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:39])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]([NH:26][C:27](=[O:28])[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[NH:38])[cH:23][cH:24]4)[n:16]3)[cH:40][cH:41]2)[CH2:42][CH2:43][C:44](=[O:45])[O:46][CH3:47])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:39])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]([NH:26][C:27](=[O:28])[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[NH:38])[cH:23][cH:24]4)[n:16]3)[cH:40][cH:41]2)[CH2:42][CH2:43][C:44](=[O:45])[OH:46])[cH:3][cH:4][cH:5][cH:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-0a1a997b7c894c139494e99499209db4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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