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Hydrochloric Acid → N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide

HRID 1131930
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HRID 1131930 반응식
[CH2:51]1[CH2:52][C:53]12[CH2:54][CH2:55][N:56]([C:59](=[O:60])[NH:61][CH:62]([C:63](=[O:64])[OH:65])[CH2:66][C:67]([CH3:68])([F:69])[F:70])[CH2:57][CH2:58]2.[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[ClH:1].[NH2:2][C:3]1([C:6]#[N:7])[CH2:4][CH2:5]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:8][n:9]1[c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[n:16][n:17]1.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[NH:2]([C:3]1([C:6]#[N:7])[CH2:4][CH2:5]1)[C:63]([CH:62]([NH:61][C:59]([N:56]1[CH2:55][CH2:54][C:53]2([CH2:51][CH2:52]2)[CH2:58][CH2:57]1)=[O:60])[CH2:66][C:67]([CH3:68])([F:69])[F:70])=[O:64]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 5568881-AminocyclopropanecarbonitrileHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 66661299HCID 66661299, 화합물

생성물 1

HCID 74381845N-[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide

출처 및 근거

ORD 기록
ord-c98fda9cc2b746adb45a3a5bc28e966f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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