Hydrochloric Acid → HCID 10195919, compound

HRID 1122991Notes

Reaction equation

HRID 1122991 reaction equation
[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].[nH:28]1[c:29]([CH:33]([CH2:34][NH:35][CH3:36])[OH:37])[n:30][cH:31][cH:32]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:35]([CH2:34][CH:33]([c:29]2[nH:28][cH:32][cH:31][n:30]2)[OH:37])[CH3:36])[s:19]3)[cH:24][cH:25]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 10125060HCID 10125060, compoundHCID 22574363N-(4-chlorobenzyl)-2-(chloromethyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide

Product 1

HCID 10195919HCID 10195919, compound

Sources & evidence

ORD record
ord-9befb014de484f209378a18c7e50235c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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