Sodium ion → 5-{[(5-chloro-3-fluoro-2-methoxyphenyl)(2-trifluoromethyloxiranyl)methyl]-amino}-7-fluoro-1H-quinolin-2-one

HRID 691554Notes

Reaction equation

HRID 691554 reaction equation
[C:27]([Si:28]([Cl:29])([CH3:30])[CH3:31])([CH3:32])([CH3:33])[CH3:34].[C:47]([Si:48]([CH3:49])([CH3:50])[n:51]1[c:52]2[c:53]([c:54]([N:55]=[CH:56][c:57]3[cH:58][c:59]([Cl:60])[cH:61][c:62]([F:63])[c:64]3[O:65][CH3:66])[cH:67][c:68]([F:69])[cH:70]2)[cH:71][cH:72][c:73]1=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH2:42]([Li:43])[CH2:44][CH2:45][CH3:46].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:83][CH2:84][CH2:85][CH2:86][CH2:87][CH3:88].[CH3:89][CH2:90][O:91][CH2:92][CH3:93].[Cl:3][c:4]1[cH:5][c:6]([F:26])[c:7]([O:24][CH3:25])[c:8]([CH:10]=[N:11][c:12]2[c:13]3[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]3[cH:19][c:20]([F:22])[cH:21]2)[cH:9]1.[F:35][C:36]([CH:37]1[CH2:38][O:39]1)([F:40])[F:41].[H-:2].[Na+:1]>>[Cl:3][c:4]1[cH:5][c:6]([F:26])[c:7]([O:24][CH3:25])[c:8]([CH:10]([NH:11][c:12]2[c:13]3[cH:14][cH:15][c:16](=[O:23])[nH:17][c:18]3[cH:19][c:20]([F:22])[cH:21]2)[C:37]2([C:36]([F:35])([F:40])[F:41])[CH2:38][O:39]2)[cH:9]1

Participants

11

Reactant 10

HCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8058HexaneHCID 28928tert-Butyldimethylsilyl chlorideHCID 166653HydrideHCID 5207692-(Trifluoromethyl)oxiraneHCID 68737264HCID 68737264, compoundHCID 689182511-{t-Butyldimethylsilyl}-5-{[1-(5-chloro-3-fluoro-2-methoxyphenyl)methylidene]amino}-7-fluoroquinolin-2-oneHCID 178418339Butyllithium

Product 1

HCID 866305605-{[(5-chloro-3-fluoro-2-methoxyphenyl)(2-trifluoromethyloxiranyl)methyl]-amino}-7-fluoro-1H-quinolin-2-one

Sources & evidence

ORD record
ord-24566c5c5a2a4a4ba76638aa3addc388
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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