Tetrahydrofuran → Tert-butyl 5-[3-(3-chloro-5-fluorophenyl)-1-hydroxy-2-nitropropyl]-2-(2,2-dimethylpropoxy)morpholine-4-carboxylate

HRID 1231044Notes

Reaction equation

HRID 1231044 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH:23]([O:29][CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[O:24][CH2:25][CH:26]1[CH:27]=[O:28].[CH3:36][CH2:37][CH2:38][CH2:39][N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([F:13])[cH:5][c:6]([CH2:8][CH2:9][N+:10](=[O:11])[O-:12])[cH:7]1.[F-:35].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[Cl:1][c:2]1[cH:3][c:4]([F:13])[cH:5][c:6]([CH2:8][CH:9]([N+:10](=[O:11])[O-:12])[CH:27]([CH:26]2[N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:22][CH:23]([O:29][CH2:30][C:31]([CH3:32])([CH3:33])[CH3:34])[O:24][CH2:25]2)[OH:28])[cH:7]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 685589231-Chloro-3-fluoro-5-(2-nitroethyl)benzeneHCID 91358954Tert-butyl 2-(2,2-dimethylpropoxy)-5-formylmorpholine-4-carboxylate

Product 1

HCID 77514635Tert-butyl 5-[3-(3-chloro-5-fluorophenyl)-1-hydroxy-2-nitropropyl]-2-(2,2-dimethylpropoxy)morpholine-4-carboxylate

Sources & evidence

ORD record
ord-5c78b79bf39c4986ad6f1c3c632caa62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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