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

HRID 87007
Notes
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Reaction equation

HRID 87007 reaction equation
[CH3:26][NH:27][CH2:28][CH:29]([OH:30])[c:31]1[n:32][cH:33][cH:34][cH:35][n:36]1.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[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:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51]>>[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[n:32][cH:33][cH:34][cH:35][n:36]2)[s:19]3)[cH:24][cH:25]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 10171256Rac-2-(methylamino)-1-pyrimidin-2-ylethanolHCID 22574363N-(4-chlorobenzyl)-2-(chloromethyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 10239304
N-(4-chlorobenzyl)-2-{[(2-hydroxy-2-pyrimidin-2-ylethyl)(methyl)amino]methyl}-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-6b713c56d23c4079bd365108eb1801e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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