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Hydrochloric Acid → HCID 178446799, 화합물

HRID 92060
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HRID 92060 반응식
[C:61]([O:62][CH:63]([C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:68][n:69]1[n:70][c:71](-[c:74]2[cH:75][cH:76][c:77]([C:80]([F:81])([F:82])[F:83])[cH:78][cH:79]2)[cH:72][cH:73]1)([O:84][c:85]1[cH:86][cH:87][c:88]([N+:89]([O-:90])=[O:91])[cH:92][cH:93]1)=[O:94].[CH3:101][N:102]([CH3:103])[CH:104]=[O:105].[CH3:106][CH2:107][O:108][C:109](=[O:110])[CH3:111].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[ClH:51].[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[OH:1][CH:2]([CH2:3][NH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1)[CH:13]([CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[OH:26][CH:27]([CH:28]([NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][NH:42][C:43]([N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1)=[O:50]>>[OH:1][CH:2]([CH2:3][NH:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1)[CH:13]([CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][C:61]([O:62][CH:63]([C:64]([CH3:65])([CH3:66])[CH3:67])[CH2:68][n:69]1[n:70][c:71](-[c:74]2[cH:75][cH:76][c:77]([C:80]([F:81])([F:82])[F:83])[cH:78][cH:79]2)[cH:72][cH:73]1)=[O:94]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 69512770[3,3-Dimethyl-1-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]butan-2-yl] (4-nitrophenyl) carbonateHCID 178446760
HCID 178446760, 화합물
2회

생성물 1

HCID 178446799HCID 178446799, 화합물

출처 및 근거

ORD 기록
ord-895a55e7f7444e7694c5b84d9790245b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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