Chloride → 5-[ethylsulfonyl(methyl)amino]-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

HRID 1208962Notes

Reaction equation

HRID 1208962 reaction equation
[CH3:23][NH:24][C:25](=[O:26])[c:27]1[c:28]([CH2:34][NH3+:35])[cH:29][cH:30][c:31]([F:33])[cH:32]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl-:22].[ClH:36].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:1][c:2]1[c:3]([C:19](=[O:20])[OH:21])[n:4][c:5]([N:12]([S:13](=[O:14])(=[O:15])[CH2:16][CH3:17])[CH3:18])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12.[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[OH:1][c:2]1[c:3]([C:19](=[O:21])[NH:35][CH2:34][c:28]2[c:27]([C:25]([NH:24][CH3:23])=[O:26])[cH:32][c:31]([F:33])[cH:30][cH:29]2)[n:4][c:5]([N:12]([S:13](=[O:14])(=[O:15])[CH2:16][CH3:17])[CH3:18])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 58977991[4-Fluoro-2-(methylcarbamoyl)phenyl]methylazaniumHCID 596452568-Hydroxy-5-[methyl(ethylsulfonyl)amino]-1,6-naphthyridine-7-carboxylic acid

Product 1

HCID 30134055-[ethylsulfonyl(methyl)amino]-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

Sources & evidence

ORD record
ord-9faf4d6c49c54bbeab6062feb322c9cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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