Chlorosulfonic acid → ethyl 8-chloro-6-fluoro-1-methyl-4-oxo-7-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

HRID 155136Notes

Reaction equation

HRID 155136 reaction equation
[Cl:34][S:35]([OH:36])(=[O:37])=[O:38].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:32])[c:6]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:7]3[n:8]([c:9]2[cH:10][c:11]1[N:12]1[CH2:13][CH:14]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:15][CH2:16]1)[CH:24]([CH3:26])[S:25]3.[I:33]>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:32])[c:6]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:7]3[n:8]([c:9]2[c:10]([Cl:34])[c:11]1[N:12]1[CH2:13][CH:14]([NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH2:15][CH2:16]1)[CH:24]([CH3:26])[S:25]3

Participants

4

Reactant 3

HCID 24638Chlorosulfonic acidHCID 24841Hydrogen iodideHCID 19890700Ethyl 6-fluoro-1-methyl-4-oxo-7-(3-trifluoroacetylamino-1-pyrrolidinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Product 1

HCID 19890693ethyl 8-chloro-6-fluoro-1-methyl-4-oxo-7-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

Sources & evidence

ORD record
ord-f148e0224cba4a9fb92c3622f8f70ea3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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