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Hydrochloric Acid → [3,3-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] N-[2-hydroxy-1-(pyridin-2-ylsulfonylamino)heptan-3-yl]carbamate

HRID 1575730
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HRID 1575730 반응식
[C:50]([O:51][CH:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:57][n:58]1[n:59][c:60](-[c:63]2[cH:64][cH:65][c:66]([C:69]([F:70])([F:71])[F:72])[cH:67][cH:68]2)[cH:61][cH:62]1)([O:73][c:75]1[cH:76][cH:77][c:78]([N+:79]([O-:80])=[O:81])[cH:82][cH:83]1)=[O:74].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[ClH:1].[ClH:21].[NH2:22][CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH:28]([OH:29])[CH2:30][NH:31][S:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][n:38]1)(=[O:39])=[O:40].[NH2:2][CH:3]([CH:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][CH3:20]>>[NH:2]([CH:3]([CH:4]([CH2:5][NH:6][S:7](=[O:8])(=[O:9])[c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1)[OH:16])[CH2:17][CH2:18][CH2:19][CH3:20])[C:50]([O:51][CH:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:57][n:58]1[n:59][c:60](-[c:63]2[cH:64][cH:65][c:66]([C:69]([F:70])([F:71])[F:72])[cH:67][cH:68]2)[cH:61][cH:62]1)=[O:73]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 69512770[3,3-Dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] (4-nitrophenyl) carbonateHCID 69839049HCID 69839049, 화합물2회

생성물 1

HCID 178446801[3,3-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] N-[2-hydroxy-1-(pyridin-2-ylsulfonylamino)heptan-3-yl]carbamate

출처 및 근거

ORD 기록
ord-b2d65eb3da9a4e84821bcce6ae70f4a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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