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Hydrochloric Acid → N-Biphenyl-4-yl-3-[4-(2-methyl-benzoyl)-piperazin-1-yl]-3-oxo-propionamide

HRID 2321820
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HRID 2321820 반응식
[CH3:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][cH:28][cH:29]1.[CH3:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:41].[ClH:42].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[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:43]1(-[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:44][cH:45][c:46]([NH:49][C:50]([CH2:51][C:52]([N:53]2[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]2)=[O:59])=[O:60])[cH:47][cH:48]1>>[CH3:20][c:21]1[c:22]([C:23](=[O:25])[N:56]2[CH2:55][CH2:54][N:53]([C:52]([CH2:51][C:50]([NH:49][c:46]3[cH:45][cH:44][c:43](-[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:48][cH:47]3)=[O:60])=[O:59])[CH2:58][CH2:57]2)[cH:26][cH:27][cH:28][cH:29]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 83732-Methylbenzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 57875812
3-oxo-N-(4-phenylphenyl)-3-piperazin-1-ylpropanamide

생성물 1

HCID 44230808N-Biphenyl-4-yl-3-[4-(2-methyl-benzoyl)-piperazin-1-yl]-3-oxo-propionamide

출처 및 근거

ORD 기록
ord-2e686a505514466094285f94d7085647
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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