Hydrochloric Acid → ethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)piperazin-1-yl]-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

HRID 2338282Notes

Reaction equation

HRID 2338282 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[ClH:27].[ClH:28].[F:6][c:7]1[cH:8][c:9]2[c:10](=[O:26])[c:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[n:13]([c:14]2[cH:15][c:16]1[F:17])[CH:18]([CH3:20])[S:19]3.[OH2:41].[n:29]1[c:30]([N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[n:31][cH:32][cH:33][cH:34]1>>[F:6][c:7]1[cH:8][c:9]2[c:10](=[O:26])[c:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[n:13]([c:14]2[cH:15][c:16]1[N:38]1[CH2:37][CH2:36][N:35]([c:30]2[n:29][cH:34][cH:33][cH:32][n:31]2)[CH2:40][CH2:39]1)[CH:18]([CH3:20])[S:19]3

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 887471-(2-Pyrimidinyl)piperazineHCID 10380740Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Product 1

HCID 21473341ethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)piperazin-1-yl]-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Sources & evidence

ORD record
ord-ae34b29e75c44c4097f0c5938be8b27b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…