Bicarbonate Ion → Tert-butyl 3-fluoro-3-(4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)phenyl)azetidine-1-carboxylate

HRID 1544983Notes

Reaction equation

HRID 1544983 reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[Cl:30][c:31]1[c:32]([Cl:44])[c:33]([Cl:43])[cH:34][c:35]([C:37]([C:38]([F:39])([F:40])[F:41])=[CH2:42])[cH:36]1.[F:1][C:2]1([c:13]2[cH:14][cH:15][c:16]([CH:19]=[N:20][OH:21])[cH:17][cH:18]2)[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1.[K+:49].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[F:1][C:2]1([c:13]2[cH:14][cH:15][c:16]([C:19]3=[N:20][O:21][C:37]([c:35]4[cH:34][c:33]([Cl:43])[c:32]([Cl:44])[c:31]([Cl:30])[cH:36]4)([C:38]([F:39])([F:40])[F:41])[CH2:42]3)[cH:17][cH:18]2)[CH2:3][N:4]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:5]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 31398ChlorosuccinimideHCID 498201551,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 76661477Tert-butyl 3-fluoro-3-(4-((hydroxyimino)methyl)phenyl)azetidine-1-carboxylate

Product 1

HCID 78146950Tert-butyl 3-fluoro-3-(4-(5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)phenyl)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-109bd068a49a450b812e623523ac3722
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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