Benzene → (2,6-Difluorophenyl)(4-methoxyphenyl)methanone

HRID 320656Notes

Reaction equation

HRID 320656 reaction equation
[Al+3:85].[CH2:34]([OH:35])[C:36]#[CH:37].[CH3:12][O:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Cl-:84].[Cl-:86].[Cl-:87].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([F:7])[c:8]1[C:9]([Cl:10])=[O:11].[F:51][c:52]1[c:53]([C:59]2([c:73]3[cH:74][cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]3)[O:64][c:60]3[cH:61][cH:62][c:63]4[c:65]([c:66]3[CH:67]=[CH:68]2)[cH:69][cH:70][cH:71][cH:72]4)[c:54]([F:58])[cH:55][cH:56][cH:57]1.[Na+:50].[O:20]=[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[OH-:49].[S:81]=[C:82]=[S:83].[c:38]1([OH:39])[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48]1.[c:94]1([CH3:95])[cH:96][cH:97][c:98]([S:99]([OH:100])(=[O:101])=[O:102])[cH:103][cH:104]1.[cH:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[F:51][c:52]1[c:53]([C:59](=[O:64])[c:73]2[cH:74][cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]2)[c:54]([F:58])[cH:55][cH:56][cH:57]1

Participants

14

Reactant 13

HCID 241BenzeneHCID 312Chloride3×HCID 923Sodium ionHCID 961HydroxideHCID 3102BenzophenoneHCID 6101p-Toluenesulfonic acidHCID 6348Carbon DisulfideHCID 70051-NaphtholHCID 7519AnisoleHCID 7859Propargyl alcoholHCID 874382,6-Difluorobenzoyl chlorideHCID 104727Aluminum CationHCID 214667653-(2,6-Difluorophenyl)-3-(4-methoxyphenyl)-3H-naphtho[2,1-b]pyran

Product 1

HCID 19987799(2,6-Difluorophenyl)(4-methoxyphenyl)methanone

Sources & evidence

ORD record
ord-377401711e2e4750847a193fe8e90d23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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