Potassium Cation → 3-(3-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-thieno[2,3-d]isoxazole

HRID 696088

Reaction equation

HRID 696088 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][o:14][c:15]3[c:16]2[s:17][cH:18][cH:19]3)[cH:9][cH:10][cH:11]1.[C:52](=[O:53])([O-:54])[O-:55].[Cl:20][CH2:21][CH2:22][CH2:23][O:24][c:25]1[cH:26][c:27](-[c:28]2[c:29]3[s:30][cH:31][cH:32][c:33]3[o:34][n:35]2)[cH:36][cH:37][cH:38]1.[F:39][c:40]1[c:41]([N:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:42][cH:43][cH:44][cH:45]1.[K+:56].[K+:57]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8](-[c:12]2[n:13][o:14][c:15]3[c:16]2[s:17][cH:18][cH:19]3)[cH:9][cH:10][cH:11]1)[N:49]1[CH2:48][CH2:47][N:46]([c:41]2[c:40]([F:39])[cH:45][cH:44][cH:43][cH:42]2)[CH2:51][CH2:50]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 705291-(2-Fluorophenyl)piperazineHCID 219835563-[3-(3-Chloro-propoxy)-phenyl]-thieno[2,3-d]isoxazoleHCID 219835593-[3-(3-Bromo-propoxy)phenyl]-thieno[2,3-d]isoxazole

Product 1

HCID 219835653-(3-{3-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-thieno[2,3-d]isoxazole

Sources & evidence

ORD record
ord-7224d0428a7d47118a7bbf8a65292a59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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