Water → N-(4-chlorobenzyl)-2-{[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl](methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
Reaction equation
[CH3:26][NH:27][CH2:28][CH:29]([OH:30])[c:31]1[cH:32][c:33]([F:39])[c:34]([F:38])[c:35]([F:37])[cH:36]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:23])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH3:22])[c:18]([CH2:20][Cl:21])[s:19]3)[cH:24][cH:25]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:23])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH3:22])[c:18]([CH2:20][N:27]([CH3:26])[CH2:28][CH:29]([OH:30])[c:31]2[cH:32][c:33]([F:39])[c:34]([F:38])[c:35]([F:37])[cH:36]2)[s:19]3)[cH:24][cH:25]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-98b56ed9c96f42f8877a5b0df02136dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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