Sodium ion → 5-{[(2-chloro-3-fluoro-4-methoxyphenyl)(2-trifluoromethyloxiranyl)methyl]amino}-7-fluoro-1H-quinolin-2-one

HRID 669289Notes

Reaction equation

HRID 669289 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][cH:59][c:60]([O:61][CH3:62])[c:63]([F:64])[c:65]3[Cl: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[c:5]([CH:13]=[N:14][c:15]2[c:16]3[cH:17][cH:18][c:19](=[O:26])[nH:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[cH:6][cH:7][c:8]([O:11][CH3:12])[c:9]1[F:10].[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[c:5]([CH:13]([NH:14][c:15]2[c:16]3[cH:17][cH:18][c:19](=[O:26])[nH:20][c:21]3[cH:22][c:23]([F:25])[cH:24]2)[C:37]2([C:36]([F:35])([F:40])[F:41])[CH2:38][O:39]2)[cH:6][cH:7][c:8]([O:11][CH3:12])[c:9]1[F:10]

Participants

11

Reactant 10

HCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8058HexaneHCID 28928tert-Butyldimethylsilyl chlorideHCID 166653HydrideHCID 5207692-(Trifluoromethyl)oxiraneHCID 685370925-{[1-(2-chloro-3-fluoro-4-methoxyphenyl)methylidene]amino}-7-fluoro-1H-quinolin-2-oneHCID 685410251-{t-Butyldimethylsilyl}-5-{[1-(2-chloro-3-fluoro-4-methoxyphenyl)methylidene]amino}-7-fluoroquinolin-2-oneHCID 178418339Butyllithium

Product 1

HCID 462221905-{[(2-chloro-3-fluoro-4-methoxyphenyl)(2-trifluoromethyloxiranyl)methyl]amino}-7-fluoro-1H-quinolin-2-one

Sources & evidence

ORD record
ord-1e607164e82a4e10ad5f8a31d5a626b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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