Potassium Cation → 2-methylpropyl[3-fluoro-4-(tetrahydro-2H-thiopyran-4-yl)phenyl]carbamate

HRID 2320011Notes

Reaction equation

HRID 2320011 reaction equation
[C:64](=[O:65])([O-:66])[O-:67].[CH3:23][Si:24]([CH3:25])([CH3:26])[O:27][Si:28]([CH3:29])([CH3:30])[CH3:31].[CH3:43][CH:44]([CH3:45])[CH2:46][N:47]([c:48]1[cH:49][cH:50][c:51]([C:52]2=[CH:57][CH2:56][S:55][CH2:54][CH2:53]2)[c:58]([F:59])[cH:60]1)[C:61](=[O:62])[O-:63].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[F:1][c:2]1[cH:3][c:4]([NH:15][C:16]([O:17][CH2:18][CH:19]([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][c:7]1[C:8]1([OH:14])[CH2:9][CH2:10][S:11][CH2:12][CH2:13]1.[K+:68].[K+:69].[OH2:77].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[F:1][c:2]1[cH:3][c:4]([NH:15][C:16]([O:17][CH2:18][CH:19]([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][c:7]1[CH:8]1[CH2:9][CH2:10][S:11][CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 19660Carbonate IonHCID 24764HexamethyldisiloxaneHCID 98403602-methylpropyl [3-fluoro-4-(tetrahydro-4-hydroxy-2H-thiopyran-4-yl)phenyl]carbamateHCID 178449620N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-N-(2-methylpropyl)carbamate

Product 1

HCID 155500462-methylpropyl[3-fluoro-4-(tetrahydro-2H-thiopyran-4-yl)phenyl]carbamate

Sources & evidence

ORD record
ord-e39b161848cd4bfd8e40c87877f807dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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