Water → N-(4-chlorobenzyl)-2-{[(2-{4-[(dimethylamino)methyl]phenyl}-2-hydroxyethyl)(methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
Reaction equation
[CH3:26][N:27]([CH3:28])[CH2:29][c:30]1[cH:31][cH:32][c:33]([CH:36]([CH2:37][NH:38][CH3:39])[OH:40])[cH:34][cH:35]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[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:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[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:38]([CH2:37][CH:36]([c:33]2[cH:32][cH:31][c:30]([CH2:29][N:27]([CH3:26])[CH3:28])[cH:35][cH:34]2)[OH:40])[CH3:39])[s:19]3)[cH:24][cH:25]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3cb375312aac4bbf90b0120075612dbc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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