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Hydrochloric Acid → 5-Phenylamino-pyridine-2-carboxylic acid {2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

HRID 103377
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HRID 103377 반응식
[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:69].[NH2:47][CH2:48][C:49](=[O:50])[N:51]1[CH2:52][CH2:53][N:54]([C:57]([c:58]2[c:59]([C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62][cH:63]2)=[O:68])[CH2:55][CH2:56]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1.[c:10]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[n:21][cH:22]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:23](=[O:25])[NH:47][CH2:48][C:49](=[O:50])[N:51]3[CH2:52][CH2:53][N:54]([C:57]([c:58]4[c:59]([C:64]([F:65])([F:66])[F:67])[cH:60][cH:61][cH:62][cH:63]4)=[O:68])[CH2:55][CH2:56]3)[n:21][cH:22]2)[cH:11][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 126402205-Phenylamino-pyridine-2-carboxylic acid
HCID 59559629
2-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

생성물 1

HCID 595595965-Phenylamino-pyridine-2-carboxylic acid {2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

출처 및 근거

ORD 기록
ord-fa8d95eeff9c486bbc14e5982c7563a7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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