Potassium Cation → 1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methylsulfanyl-phenyl)-ethanone

HRID 139633Notes

Reaction equation

HRID 139633 reaction equation
[Br:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[c:29]([S:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]1.[CH3:39][C:40]#[N:41].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1.[K+:17].[K+:18].[O-:19][C:20]([O-:21])=[O:22]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:24][CH2:25][CH2:26][O:27][c:28]4[c:29]([S:37][CH3:38])[cH:30][c:31]([C:34]([CH3:35])=[O:36])[cH:32][cH:33]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 100406381-[4-(3-Bromopropoxy)-3-methylmercaptophenyl]ethanone

Product 1

HCID 103211391-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methylsulfanyl-phenyl)-ethanone

Sources & evidence

ORD record
ord-5a826b9e9f7b4aa9976169b8c4356fdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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