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Hydrochloric Acid → 1-pyridin-2-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

HRID 2315890
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인쇄 미리보기

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HRID 2315890 반응식
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]2)=[O:68])[CH2:54][CH2:55]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[n:10]1[c:11](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:12][cH:13][cH:14][cH:15]1>>[n:10]1[c:11](-[n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]4)=[O:68])[CH2:54][CH2:55]3)[cH:20]2)[cH:12][cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 576884391-Pyridin-2-yl-1H-[1,2,3]triazole-4-carboxylic acid
HCID 59559598
2-Amino-1-[4-(2-trifluoromethyl-5-fluoro-benzoyl)-piperazin-1-yl]-ethanone

생성물 1

HCID 595596741-pyridin-2-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

출처 및 근거

ORD 기록
ord-5653f9bc931d4264b347d6cf206dd216
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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