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Hydrochloric Acid → 5-Phenyl-isoxazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 2320370
Notes
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Reaction equation

HRID 2320370 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[ClH:49].[ClH:50].[ClH:51].[NH:52]1[CH2:53][CH2:54][CH:55]([NH:58][c:59]2[c:60]([Cl:65])[cH:61][cH:62][cH:63][cH:64]2)[CH2:56][CH2:57]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:52]3[CH2:53][CH2:54][CH:55]([NH:58][c:59]4[c:60]([Cl:65])[cH:61][cH:62][cH:63][cH:64]4)[CH2:56][CH2:57]3)[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4778206N-(2-chlorophenyl)piperidin-4-amine
HCID 433543392-[(5-Phenyl-1,2-oxazol-3-yl)formamido]acetic acid

Product 1

HCID 442355025-Phenyl-isoxazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-43b854f254f94b1e8b066eb222a9a6ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes