Bicarbonate Ion → 1-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)quinoline-3-carboxylic acid

HRID 1556668Notes

Reaction equation

HRID 1556668 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:11]1([n:14]2[cH:15][c:16]([C:33](=[O:34])[OH:35])[c:17](=[O:32])[c:18]3[cH:19][c:20]([F:31])[c:21]([N:26]4[CH2:27][CH:28]=[CH:29][CH2:30]4)[c:22]([O:24][CH3:25])[c:23]23)[CH2:12][CH2:13]1.[Na+:40].[OH:1][N:2]=[C:3]([c:4]1[n:5][cH:6][cH:7][cH:8][cH:9]1)[Cl:10]>>[O:1]1[N:2]=[C:3]([c:4]2[n:5][cH:6][cH:7][cH:8][cH:9]2)[CH:28]2[CH2:27][N:26]([c:21]3[c:20]([F:31])[cH:19][c:18]4[c:17](=[O:32])[c:16]([C:33](=[O:34])[OH:35])[cH:15][n:14]([CH:11]5[CH2:12][CH2:13]5)[c:23]4[c:22]3[O:24][CH3:25])[CH2:30][CH:29]12

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 421736N-hydroxy-2-pyridinecarboximidoyl chlorideHCID 575555521-Cyclopropyl-7-(2,5-dihydro-pyrrol-1-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Product 1

HCID 575555531-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(3-pyridin-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)quinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-b259ecaa41bc40ef9d8af61e3d036346
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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