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Hydrochloric Acid → HCID 178449106, 화합물

HRID 2344581
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HRID 2344581 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([C:6](=[O:7])[c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15](-[c:17]2[o:18][cH:19][cH:20][n:21]2)[cH:16]1)[CH3:22].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[CH:87]([Cl:88])([Cl:89])[Cl:90].[ClH:56].[ClH:57].[NH2:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]1[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]1)[OH:72])[CH2:73][c:74]1[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([C:6](=[O:7])[c:8]1[cH:9][c:10]([C:11](=[O:13])[NH:58][CH:59]([CH:60]([CH2:61][NH:62][CH2:63][c:64]2[cH:65][c:66]([CH2:70][CH3:71])[cH:67][cH:68][cH:69]2)[OH:72])[CH2:73][c:74]2[cH:75][c:76]([F:81])[cH:77][c:78]([F:80])[cH:79]2)[cH:14][c:15](-[c:17]2[o:18][cH:19][cH:20][n:21]2)[cH:16]1)[CH3:22]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 6212ChloroformHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 21085732
3-{[Butyl(methyl)amino]carbonyl}-5-(1,3-oxazol-2-yl)benzoic Acid
HCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

생성물 1

HCID 178449106HCID 178449106, 화합물

출처 및 근거

ORD 기록
ord-1770c70f64f144f49d279a0ccbfdc1b7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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