Dimethyl Sulfoxide → Ethyl 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]cyclopropanecarboxylate

HRID 95804

Reaktionsgleichung

[CH3:1][S:2]([CH3:3])=[O:4].[CH3:8][S+:9]([CH3:10])([CH3:11])=[O:12].[CH:13]1([NH:19][c:20]2[c:21]([F:43])[cH:22][c:23]3[c:24](=[O:42])[c:25]([CH:35]=[CH:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:26][n:27]([CH:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[c:28]3[cH:29]2)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[H-:5].[I-:7].[Na+:6].[OH2:44]>>[CH2:8]1[CH:35]([c:25]2[c:24](=[O:42])[c:23]3[cH:22][c:21]([F:43])[c:20]([NH:19][CH:13]4[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)[cH:29][c:28]3[n:27]([CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[cH:26]2)[CH:36]1[C:37](=[O:38])[O:39][CH2:40][CH3:41]

Komponenten

Edukt 7

HCID 679Dimethyl Sulfoxide

HCID 923Sodium ion

HCID 962Water

HCID 30165Iodide Ion

HCID 74499Trimethylsulfoxonium

HCID 166653Hydride

HCID 77156692Ethyl 3-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]prop-2-enoate

Produkt 1

HCID 66636987Ethyl 2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-1,4-dihydroquinolin-3-yl]cyclopropanecarboxylate

Quellen und Nachweise

ORD-Eintrag: ord-2539e3c27387489d88067d4afc7dd9d1
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Verknüpfte Notizen

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