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Hydrochloric Acid → HCID 178444704, 화합물

HRID 2146294
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HRID 2146294 반응식
[C:46]([O:47][CH:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:53][n:54]1[cH:55][n:56][c:57]2[c:58]1[cH:59][c:60]([Cl:64])[c:61]([Cl:63])[cH:62]2)([O:65][c:66]1[cH:67][cH:68][c:69]([N+:70]([O-:71])=[O:72])[cH:73][cH:74]1)=[O:75].[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[CH:76]([N:77]([CH:78]([CH3:79])[CH3:80])[CH2:81][CH3:82])([CH3:83])[CH3:84].[ClH:45].[O:85]1[CH2:86][CH2:87][O:88][CH2:89][CH2:90]1.[OH:1][CH:2]([CH2:3][NH:4][C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][NH:13][S:14](=[O:15])(=[O:16])[c:17]1[n:18][cH:19][cH:20][cH:21][cH:22]1.[OH:23][CH:24]([CH2:25][NH:26][S:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][n:33]1)(=[O:34])=[O:35])[CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44]>>[OH:1][CH:2]([CH2:3][NH:4][C:46]([O:47][CH:48]([C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:53][n:54]1[cH:55][n:56][c:57]2[c:58]1[cH:59][c:60]([Cl:64])[c:61]([Cl:63])[cH:62]2)=[O:75])[CH2:12][NH:13][S:14](=[O:15])(=[O:16])[c:17]1[n:18][cH:19][cH:20][cH:21][cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 58932643[1-(5,6-Dichlorobenzimidazol-1-yl)-3,3-dimethylbutan-2-yl] (4-nitrophenyl) carbonateHCID 58981687Tert-butyl 2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propylcarbamate2회

생성물 1

HCID 178444704HCID 178444704, 화합물

출처 및 근거

ORD 기록
ord-45a43bbfb5b444f280ef98716ac49ab4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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