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

HRID 2322408Notes

Reaction equation

HRID 2322408 reaction equation
[CH3:25][NH:26][C:27](=[O:28])[c:29]1[c:30]([CH2:36][NH3+:37])[cH:31][cH:32][c:33]([F:35])[cH:34]1.[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[Cl-:24].[ClH:38].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH:1][c:2]1[c:3]([C:21](=[O:22])[OH:23])[n:4][c:5]([N:12]2[S:13](=[O:19])(=[O:20])[N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]2)[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12.[OH:50][n:51]1[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[OH:1][c:2]1[c:3]([C:21](=[O:22])[NH:37][CH2:36][c:30]2[c:29]([C:27]([NH:26][CH3:25])=[O:28])[cH:34][c:33]([F:35])[cH:32][cH:31]2)[n:4][c:5]([N:12]2[S:13](=[O:19])(=[O:20])[N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]2)[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 596452528-Hydroxy-5-(6-methyl-1,1-dioxido-1,2,6-thiadiazinan-2-yl)-1,6-naphthyridine-7-carboxylic acid

Product 1

HCID 3013406N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-1,6-naphthyridine-7-carboxamide

Sources & evidence

ORD record
ord-3fc8e432735d410d950e514efd3664f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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