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Water → 2-{[(2-[4-(aminosulfonyl)phenyl]-2-hydroxyethyl}(methyl)amino]methyl}-N-(4-chlorobenzyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

HRID 823200
Notes
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Reaction equation

HRID 823200 reaction equation
[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].[OH:26][CH:27]([CH2:28][NH:29][CH3:30])[c:31]1[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:35][cH:36]1>>[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:29]([CH2:28][CH:27]([OH:26])[c:31]2[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:35][cH:36]2)[CH3:30])[s:19]3)[cH:24][cH:25]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 101927084-[1-Hydroxy-2-(methylamino)ethyl]benzenesulfonamideHCID 22574363N-(4-chlorobenzyl)-2-(chloromethyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 10153189
2-{[(2-[4-(aminosulfonyl)phenyl]-2-hydroxyethyl}(methyl)amino]methyl}-N-(4-chlorobenzyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-8e4ff6505bc04e529c3d1db0351c90de
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes