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Hydrochloric Acid → N-{2-oxo-2-[4-(2-trifluoromethyl-phenylamino)-piperidin-1-yl]-ethyl}-4-phenylamino-benzamide

HRID 2145478
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HRID 2145478 반응식
[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[ClH:51].[ClH:52].[ClH:53].[NH:54]1[CH2:55][CH2:56][CH:57]([NH:60][c:61]2[c:62]([C:67]([F:68])([F:69])[F:70])[cH:63][cH:64][cH:65][cH:66]2)[CH2:58][CH2:59]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1.[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:54]3[CH2:55][CH2:56][CH:57]([NH:60][c:61]4[c:62]([C:67]([F:68])([F:69])[F:70])[cH:63][cH:64][cH:65][cH:66]4)[CH2:58][CH2:59]3)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid3회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 54902682Piperidin-4-yl-(2-trifluoromethylphenyl)amine
HCID 57874498
(4-Phenylamino-benzoylamino)-acetic acid

생성물 1

HCID 57874508N-{2-oxo-2-[4-(2-trifluoromethyl-phenylamino)-piperidin-1-yl]-ethyl}-4-phenylamino-benzamide

출처 및 근거

ORD 기록
ord-b3b431babeb64d2f961f052d5657f976
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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