Acetic Acid → 9',10'-Difluoro-7'-oxo-2'H,7'H-spiro[cyclopentane-1,3'-[1,4]oxazino[2,3,4-IJ]quinoline]-6'-carboxylic acid

HRID 147246Notes

Reaction equation

HRID 147246 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:25])[c:8]2[cH:9][c:10]([F:24])[c:11]([F:23])[c:12]3[c:13]2[n:14]([cH:15]1)[C:16]1([CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:21][O:22]3.[CH3:27][C:28](=[O:29])[OH:30].[OH2:26].[OH2:31].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7](=[O:25])[c:8]2[cH:9][c:10]([F:24])[c:11]([F:23])[c:12]3[c:13]2[n:14]([cH:15]1)[C:16]1([CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:21][O:22]3

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962Water2×HCID 1118Sulfuric AcidHCID 58134640ethyl-9',10'-difluoro-7'-oxospiro[cyclopentane-1,3'(2'H)-[7H]pyrido[1,2,3-de][1,4]benzoxazine]-6'-carboxylate

Product 1

HCID 581347029',10'-Difluoro-7'-oxo-2'H,7'H-spiro[cyclopentane-1,3'-[1,4]oxazino[2,3,4-IJ]quinoline]-6'-carboxylic acid

Sources & evidence

ORD record
ord-d16652f9cba149748c8cf710db769301
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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