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

HRID 309139Notes

Reaction equation

HRID 309139 reaction equation
[CH2:25]([O:26][c:27]1[cH:28][c:29]([C:30](=[O:31])[CH3:32])[cH:33][cH:34][cH:35]1)[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH2:58][CH2:59][N:60]([CH3:61])[CH3:62].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:63].[ClH:64].[NH2:65][CH2:66][C:67](=[O:68])[N:69]1[CH2:70][CH2:71][CH:72]([O:75][c:76]2[cH:77][c:78]([C:82]([F:83])([F:84])[F:85])[cH:79][cH:80][cH:81]2)[CH2:73][CH2:74]1.[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH2:91].[OH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[OH:24])[n:20][o:21]2)[cH:15][cH:16]1.[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[OH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([C:22](=[O:24])[NH:65][CH2:66][C:67](=[O:68])[N:69]3[CH2:70][CH2:71][CH:72]([O:75][c:76]4[cH:77][c:78]([C:82]([F:83])([F:84])[F:85])[cH:79][cH:80][cH:81]4)[CH2:73][CH2:74]3)[n:20][o:21]2)[cH:15][cH:16]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 986891-(3-(Phenylmethoxy)phenyl)ethan-1-oneHCID 10909835-(4-Hydroxyphenyl)isoxazole-3-carboxylic acidHCID 665915482-Amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

Product 1

HCID 1361706625-(4-Hydroxy-phenyl)-isoxazole-3-carboxylic acid {2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-0a889a43b60b418fb4a4ef1ce024c00c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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