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Hydrochloric Acid → 1-[4-(2-Chloro-phenoxy)-piperidine-1-carbonyl]-cyclopropanecarboxylic acid biphenyl-4-ylamide

HRID 304507
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HRID 304507 반응식
[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl:33][c:34]1[c:35]([O:36][CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:43][cH:44][cH:45][cH:46]1.[ClH:31].[ClH:32].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:47]1(-[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:48][cH:49][c:50]([NH:53][C:54](=[O:55])[C:56]2([C:59](=[O:60])[OH:61])[CH2:57][CH2:58]2)[cH:51][cH:52]1>>[Cl:33][c:34]1[c:35]([O:36][CH:37]2[CH2:38][CH2:39][N:40]([C:59]([C:56]3([C:54]([NH:53][c:50]4[cH:49][cH:48][c:47](-[c:62]5[cH:63][cH:64][cH:65][cH:66][cH:67]5)[cH:52][cH:51]4)=[O:55])[CH2:57][CH2:58]3)=[O:60])[CH2:41][CH2:42]2)[cH:43][cH:44][cH:45][cH:46]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 38646564-(2-Chlorophenoxy)piperidine
HCID 57874368
1-(Biphenyl-4-ylcarbamoyl)-cyclopropanecarboxylic acid

생성물 1

HCID 578744051-[4-(2-Chloro-phenoxy)-piperidine-1-carbonyl]-cyclopropanecarboxylic acid biphenyl-4-ylamide

출처 및 근거

ORD 기록
ord-156b4dc661d447388f5d8ab916fabca9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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