Toluene → Tert-butyl 2-[4-[1-(4-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-4-oxoazetidin-2-yl]phenoxy]acetate

HRID 119742Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 16028Tetrabutylammonium

HCID 28179Fluoride Ion

HCID 90848721Tert-butyl 2-[4-[1-(4-fluoroanilino)-2-[[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate

Product 1

HCID 91173286Tert-butyl 2-[4-[1-(4-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-4-oxoazetidin-2-yl]phenoxy]acetate

Sources & evidence

ORD record: ord-2fdff7ad955a4a0a8fcde0a11b46b9d5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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