Hydrochloric Acid → 5-(3-Fluoro-phenyl)-isoxazole-3-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

HRID 1201237Notes

Reaction equation

HRID 1201237 reaction equation
[CH3:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[CH3:55].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:56].[ClH:57].[F:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[OH:24])[n:20][o:21]2)[cH:14][cH:15][cH:16]1.[F:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[CH3:31])[cH:32][cH:33][cH:34]1.[NH2:58][CH2:59][C:60](=[O:61])[N:62]1[CH2:63][CH2:64][CH:65]([O:68][c:69]2[cH:70][c:71]([C:75]([F:76])([F:77])[F:78])[cH:72][cH:73][cH:74]2)[CH2:66][CH2:67]1.[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:84].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[F:10][c:11]1[cH:12][c:13](-[c:17]2[cH:18][c:19]([C:22](=[O:24])[NH:58][CH2:59][C:60](=[O:61])[N:62]3[CH2:63][CH2:64][CH:65]([O:68][c:69]4[cH:70][c:71]([C:75]([F:76])([F:77])[F:78])[cH:72][cH:73][cH:74]4)[CH2:66][CH2:67]3)[n:20][o:21]2)[cH:14][cH:15][cH:16]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 99673-FluoroacetophenoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanoneHCID 665915905-(3-Fluorophenyl)isoxazole-3-carboxylic acid

Product 1

HCID 578743795-(3-Fluoro-phenyl)-isoxazole-3-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-c9d294f5318e4ed7b2a5611d8d1fe377
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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