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

HRID 1567381Notes

Reaction equation

HRID 1567381 reaction equation
[CH3:24][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl-:45].[ClH:23].[F:46][c:47]1[cH:48][c:49]([C:55](=[O:56])[NH:57][CH:58]([CH3:59])[CH3:60])[c:50]([CH2:53][NH3+:54])[cH:51][cH:52]1.[Na+:69].[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.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH-:68].[OH2:70].[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:19])[NH:54][CH2:53][c:50]3[c:49]([C:55](=[O:56])[NH:57][CH:58]([CH3:59])[CH3:60])[cH:48][c:47]([F:46])[cH:52][cH:51]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 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 596452235-(1,1-Dioxido-1,2-thiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylic acidHCID 59645250[4-Fluoro-2-(propan-2-ylcarbamoyl)phenyl]methylazanium

Product 1

HCID 30134005-(1,1-dioxothiazinan-2-yl)-N-[[4-fluoro-2-(isopropylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

Sources & evidence

ORD record
ord-0242b2b36181489fa8cfb53118b1b114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…