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Hydrochloric Acid → Furan-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazine-1-yl]-ethyl}-amide

HRID 139019
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HRID 139019 반응식
[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:43].[ClH:44].[N:45]1([C:51](=[O:52])[c:53]2[c:54]([C:59]([F:60])([F:61])[F:62])[cH:55][cH:56][cH:57][cH:58]2)[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1.[o:10]1[c:11]([C:15](=[O:16])[NH:17][CH2:18][C:19](=[O:20])[OH:21])[cH:12][cH:13][cH:14]1>>[o:10]1[c:11]([C:15](=[O:16])[NH:17][CH2:18][C:19](=[O:21])[N:48]2[CH2:47][CH2:46][N:45]([C:51](=[O:52])[c:53]3[c:54]([C:59]([F:60])([F:61])[F:62])[cH:55][cH:56][cH:57][cH:58]3)[CH2:50][CH2:49]2)[cH:12][cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 21863N-(2-Furoyl)GlycineHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 16733784
1-[2-(Trifluoromethyl)benzoyl]piperazine

생성물 1

HCID 59559660Furan-2-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazine-1-yl]-ethyl}-amide

출처 및 근거

ORD 기록
ord-12e6b6cd2de7451f9400f69c352b2e53
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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