Tetrahydrofuran → methyl (5E)-5-[(tert-butylsulfinyl)imino]-5-(3,5-difluorophenyl)-2,2-dimethylpentanoate

HRID 301273Notes

Reaction equation

HRID 301273 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:20][O:21][N:22]([CH3:23])[C:24](=[O:25])[CH2:26][CH2:27][C:28]([CH3:29])([CH3:30])[C:31]([O:32][CH3:33])=[O:34].[CH3:35][C:36]([CH3:37])([CH3:38])[S:39](=[O:40])[NH2:41].[CH3:47][CH2:48][O-:49].[CH3:50][CH2:51][O-:52].[CH3:53][CH2:54][O-:55].[CH3:56][CH2:57][O-:58].[F:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH3:16])([CH3:17])[CH3:18])=[O:19])[cH:5][c:6]([F:8])[cH:7]1.[Ti+4:59]>>[F:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH3:16])([CH3:17])[CH3:18])=[N:41][S:39]([C:36]([CH3:35])([CH3:37])[CH3:38])=[O:40])[cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)HCID 1194401-Hydroxyethyl radical4×HCID 3382465Tert-ButanesulfinamideHCID 57974028Methyl 3,5-difluoro-α,α-dimethyl-δ-oxobenzenepentanoateHCID 57974098HCID 57974098, compound

Product 1

HCID 76678917methyl (5E)-5-[(tert-butylsulfinyl)imino]-5-(3,5-difluorophenyl)-2,2-dimethylpentanoate

Sources & evidence

ORD record
ord-18f6a3b29d084fe2b7bc324f93b871cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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