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Ammonium → 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

HRID 696532
Notes
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Reaction equation

HRID 696532 reaction equation
[Br:24][CH2:25][c:26]1[c:27](-[c:36]2[c:37]([O:47][CH3:48])[c:38]([OH:46])[c:39]([F:45])[c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]2)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[Cl-:49].[F:3][C:4]([c:5]1[cH:6][c:7]([CH:15]2[CH:16]([CH3:21])[NH:17][C:18](=[O:20])[O:19]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:22])[F:23].[H-:1].[NH4+:50].[Na+:2]>>[F:3][C:4]([c:5]1[cH:6][c:7]([CH:15]2[CH:16]([CH3:21])[N:17]([CH2:25][c:26]3[c:27](-[c:36]4[c:37]([O:47][CH3:48])[c:38]([OH:46])[c:39]([F:45])[c:40]([CH:42]([CH3:43])[CH3:44])[cH:41]4)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[C:18](=[O:20])[O:19]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:22])[F:23]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 166653HydrideHCID 591352455-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-oneHCID 86603436
2'-(Bromomethyl)-4-fluoro-5-isopropyl-2-methoxy-4'-(trifluoromethyl)biphenyl-3-ol

Product 1

HCID 1784866105-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-3-hydroxy-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-4261369d412148ceb4ae4987e5f01b29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes