Sodium ion → 4-[6-(4-Tert-butylcyclohexyl)oxy-5-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

HRID 212830

Reaction equation

HRID 212830 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([C:23]3([CH3:29])[NH:24][C:25](=[O:28])[O:26][CH2:27]3)[cH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][CH:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:17][CH2:18]1.[CH2:57]([O:58][C:59](=[O:60])[CH3:61])[CH3:62].[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[F:30][C:31]([O:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1)([F:42])[F:43].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:56]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([O:32][C:31]([F:30])([F:42])[F:43])[cH:38][cH:37]2)[c:3]2[cH:4][cH:5][c:6]([C:23]3([CH3:29])[NH:24][C:25](=[O:28])[O:26][CH2:27]3)[cH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][CH:13]1[CH2:14][CH2:15][CH:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 674131204-[5-Bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

Product 1

HCID 674121404-[6-(4-Tert-butylcyclohexyl)oxy-5-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-4ddc0240e1194840837c6fc46e2c095d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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