Methanol → N-cyano-N'-[4-[N-[3-(4-fluorophenyl)-3-(2-pyridyl)propyl]-N-methylamino]butyl]-N"-[2[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]guanidine
Reaction equation
[C:24](#[N:25])[NH:26][C:27]([O:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[N:35][CH2:36][CH2:37][S:38][CH2:39][c:40]1[n:41][c:42]([NH:45][C:46](=[NH:47])[NH2:48])[s:43][cH:44]1.[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH3:49][OH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH2:16])[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:27]([NH:26][C:24]#[N:25])=[N:35][CH2:36][CH2:37][S:38][CH2:39][c:40]2[n:41][c:42]([NH:45][C:46](=[NH:47])[NH2:48])[s:43][cH:44]2)[CH3:17])[c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-62956bc6a90145beb169afed09c56ff3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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