N-Methylphenylethanolamine → N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

HRID 1573785

Reaction equation

HRID 1573785 reaction equation
[CH3:34][S:35](=[O:36])(=[O:37])[Cl:38].[CH3:39][NH:40][CH2:41][CH:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[OH:49].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[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:22])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[s:17][c:18]([CH2:20][OH:21])[cH:19]3)[cH:23][cH:24]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:64].[n:25]1[c:26]([CH3:27])[cH:28][c:29]([CH3:30])[cH:31][c:32]1[CH3:33]>>[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:22])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[s:17][c:18]([CH2:20][N:40]([CH3:39])[CH2:41][CH:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[OH:49])[cH:19]3)[cH:23][cH:24]1

Participants

8

Reactant 7

HCID 913N-MethylphenylethanolamineHCID 962WaterHCID 6228DimethylformamideHCID 79532,4,6-TrimethylpyridineHCID 142844-(Dimethylamino)pyridineHCID 31297Methanesulfonyl chlorideHCID 6482399N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide

Product 1

HCID 10458488N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

Sources & evidence

ORD record
ord-035a99b764bd4fe3899323b559bee1ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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