Nitrogen → 4-(4-Ethyl-2-trifluoromethyl-oxazolidin-3-yl)-3-fluoro-benzonitrile

HRID 93058

Reaction equation

HRID 93058 reaction equation
[CH2:29]([O:30][CH:32]([OH:31])[C:33]([F:34])([F:35])[F:36])[CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:3][c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10][c:11]1[NH:12][CH:13]([CH2:14][CH3:15])[CH2:16][OH:17].[N:1]#[N:2].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1>>[F:3][c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10][c:11]1[N:12]1[CH:13]([CH2:14][CH3:15])[CH2:16][O:17][CH:32]1[C:33]([F:34])([F:35])[F:36]

Participants

6

Reactant 5

HCID 947NitrogenHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 9897Ethanol, 1-ethoxy-2,2,2-trifluoro-HCID 436571613-Fluoro-4-(1-hydroxymethyl-propylamino)-benzonitrile

Product 1

HCID 695197144-(4-Ethyl-2-trifluoromethyl-oxazolidin-3-yl)-3-fluoro-benzonitrile

Sources & evidence

ORD record
ord-fff749d2bd4f426baf41f015295481c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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