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Hydrochloric Acid → Biphenyl-4-carboxylicacid {2-[4-(2-chloro-pyridine-3-carbonyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

HRID 1201859
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HRID 1201859 반응식
[CH3:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18][n:19]1.[ClH:41].[O:42]=[C:43]([CH2:44][NH:45][C:46](=[O:47])[c:48]1[cH:49][cH:50][c:51](-[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:52][cH:53]1)[N:60]1[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1>>[Cl:10][c:11]1[c:12]([C:13](=[O:15])[N:63]2[CH2:62][CH2:61][N:60]([C:43](=[O:42])[CH2:44][NH:45][C:46](=[O:47])[c:48]3[cH:49][cH:50][c:51](-[c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[cH:52][cH:53]3)[CH2:65][CH2:64]2)[cH:16][cH:17][cH:18][n:19]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 762582-Chloronicotinic acidHCID 81531Diisopropylethylamine
HCID 57855677
Biphenyl-4-carboxylicacid (2-oxo-2-piperazin-1-yl-ethyl)-amide

생성물 1

HCID 59559610Biphenyl-4-carboxylicacid {2-[4-(2-chloro-pyridine-3-carbonyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

출처 및 근거

ORD 기록
ord-f36c2d7f8bca417c987861c010f2d3e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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