Hydrochloric Acid → HCID 10311302, compound

HRID 2127060Notes

Reaction equation

HRID 2127060 reaction equation
[CH3:28][NH:29][CH2:30][CH:31]([OH:32])[c:33]1[cH:34][cH:35][n:36][nH:37]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[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.[ClH:26].[ClH:27].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52]>>[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]([CH3:28])[CH2:30][CH:31]([OH:32])[c:33]2[cH:34][cH:35][n:36][nH:37]2)[s:19]3)[cH:24][cH:25]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 10171249HCID 10171249, compoundHCID 22574363N-(4-chlorobenzyl)-2-(chloromethyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 10311302HCID 10311302, compound

Sources & evidence

ORD record
ord-996881751ae54e008709a38c92985156
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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