Methanol → 3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[c:15]1[cH:16][c:17]2[c:18]([n:19]([CH3:32])[c:20]([CH2:22][NH:23][c:24]3[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]3)[n:21]2)[cH:33][cH:34]1)=[O:35].[CH3:38][OH:39].[Na+:37].[OH-:36]>>[O:2]=[C:3]([CH2:4][CH2:5][N:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[c:15]1[cH:16][c:17]2[c:18]([n:19]([CH3:32])[c:20]([CH2:22][NH:23][c:24]3[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]3)[n:21]2)[cH:33][cH:34]1)[OH:35]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-2cea06b72e354d99ad38e492ec2465cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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