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

HRID 186206Notes

Reaction equation

HRID 186206 reaction equation
[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH:73]([OH:74])([CH3:75])[CH3:76].[Cl-:68].[Cl:70][CH2:71][Cl:72].[F:35][c:36]1[cH:37][cH:38][c:39]([N:42]=[CH:43][c:44]2[cH:45][cH:46][c:47]([O:48][CH2:49][C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57][cH:58]2)[cH:40][cH:41]1.[NH4+:69].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH2:20][C:21](=[O:22])[N:23]3[C:24](=[O:34])[O:25][CH2:26][CH:27]3[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([CH2:18][S:19][CH:20]([C:21](=[O:22])[N:23]3[C:24](=[O:34])[O:25][CH2:26][CH:27]3[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH:43]([NH:42][c:39]3[cH:38][cH:37][c:36]([F:35])[cH:41][cH:40]3)[c:44]3[cH:45][cH:46][c:47]([O:48][CH2:49][C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57][cH:58]3)[O:11][CH2:12][C:13]([CH3:16])([CH3:17])[CH2:14][O:15]1)[cH:9]2

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 3776IsopropanolHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 693193913-[2-[[2-(1,3-Benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]acetyl]-4-phenyl-1,3-oxazolidin-2-oneHCID 86619087Tert-butyl (4-{[(4-fluorophenyl)imino]methyl}phenoxy)acetate

Product 1

HCID 91048653Tert-butyl 2-[4-[2-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluoroanilino)-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate

Sources & evidence

ORD record
ord-740a73bd9e494f758def3584c3479e14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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