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

HRID 2148152Notes

Reaction equation

[CH3:58][CH2:59][CH2:60][CH2:61][N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cl: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]([Cl:41])[cH:39][cH:40]3)[O:28][CH2:29][C:30]([CH3:33])([CH3:34])[CH2:31][O:32]2)[c:42]2[cH:43][cH:44][c:45]([O:46][CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55][cH:56]2)[cH:6][cH:7]1.[F-:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]([c:42]3[cH:43][cH:44][c:45]([O:46][CH2:47][C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[cH:55][cH:56]3)[CH:10]([S:25][CH2:26][C:27]3([c:35]4[cH:36][cH:37][c:38]([Cl:41])[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 91582252Tert-butyl 2-[4-[1-(4-chloroanilino)-2-[[2-(4-chlorophenyl)-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 90900983Tert-butyl 2-[4-[1-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-4-oxoazetidin-2-yl]phenoxy]acetate

Sources & evidence

ORD record: ord-972f2834ac94472ea074ac112092b787
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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