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

HRID 834137
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HRID 834137 반응식
[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].[Cl:51][c:52]1[c:53]([O:54][CH:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[cH:61][cH:62][cH:63][cH:64]1.[ClH:49].[ClH:50].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[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][nH: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:58]3[CH2:57][CH2:56][CH:55]([O:54][c:53]4[c:52]([Cl:51])[cH:64][cH:63][cH:62][cH:61]4)[CH2:60][CH2:59]3)[n:10][nH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
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참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 38646564-(2-Chlorophenoxy)piperidine
HCID 178525878
HCID 178525878, 화합물

생성물 1

HCID 1785234935-phenyl-1H-pyrazole-3-carboxylic acid {2-[4-(2-chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

출처 및 근거

ORD 기록
ord-7e2f8e46c6184938b068c93b3c20ca17
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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