Water → N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)-methylamino]methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

HRID 2330419Notes

Reaction equation

HRID 2330419 reaction equation
[CH3:25][NH:26][CH2:27][CH:28]([OH:29])[c:30]1[n:31][cH:32][cH:33][cH:34][cH:35]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[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)[cH:17][c:18]([CH2:20][Cl:21])[s:19]3)[cH:23][cH:24]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50]>>[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)[cH:17][c:18]([CH2:20][N:26]([CH3:25])[CH2:27][CH:28]([OH:29])[c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[s:19]3)[cH:23][cH:24]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 224987082-(Methylamino)-1-(pyridin-2-yl)ethan-1-olHCID 22563229N-(4-chlorobenzyl)-2-(chloromethyl)-4-methyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 10174416N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)-methylamino]methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-971ac291b7b84141a5e4079f2d2ee99e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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