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

HRID 700331Notes

Reaction equation

HRID 700331 reaction equation
[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:45][C:46]([O:47][I:48]1([O:58][C:59]([CH3:60])=[O:61])([O:62][C:63]([CH3:64])=[O:65])[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[C:55](=[O:56])[O:57]1)=[O:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl-:74].[ClH:23].[F:75][c:76]1[cH:77][c:78]([C:84](=[O:85])[NH:86][CH3:87])[c:79]([CH2:82][NH3+:83])[cH:80][cH:81]1.[Na+:89].[O:1]=[S:2]1(=[O:22])[N:3]([c:8]2[c:9]3[cH:10][cH:11][cH:12][n:13][c:14]3[c:15]([OH:21])[c:16]([C:18](=[O:19])[OH:20])[n:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH-:88].[OH2:90].[OH:35][n:36]1[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[O:1]=[S:2]1(=[O:22])[N:3]([c:8]2[c:9]3[cH:10][cH:11][cH:12][n:13][c:14]3[c:15]([OH:21])[c:16]([C:18](=[O:20])[NH:83][CH2:82][c:79]3[c:78]([C:84](=[O:85])[NH:86][CH3:87])[cH:77][c:76]([F:75])[cH:81][cH:80]3)[n:17]2)[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 159087TriacetoxyperiodinaneHCID 181649HOAtHCID 58977991[4-Fluoro-2-(methylcarbamoyl)phenyl]methylazaniumHCID 596452235-(1,1-Dioxido-1,2-thiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

Product 1

HCID 30133965-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

Sources & evidence

ORD record
ord-f6d39139044d41c79da4748371a7de41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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