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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hexafluorophosphate → 4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(4-cyclopentylpiperazin-1-yl)-3-methoxybenzamide

HRID 102883
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인쇄 미리보기

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HRID 102883 반응식
[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:58]1([N:63]2[CH2:64][CH2:65][N:66]([NH2:69])[CH2:67][CH2:68]2)[CH2:59][CH2:60][CH2:61][CH2:62]1.[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:29])[NH:69][N:66]5[CH2:65][CH2:64][N:63]([CH:58]6[CH2:59][CH2:60][CH2:61][CH2:62]6)[CH2:68][CH2:67]5)[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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참가 물질

5

반응물 4

HCID 9886HexafluorophosphateHCID 15124854-Cyclopentylpiperazin-1-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 252536804-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

생성물 1

HCID 25254306
4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(4-cyclopentylpiperazin-1-yl)-3-methoxybenzamide

출처 및 근거

ORD 기록
ord-3602ae2cf50e477489a01ba8de3492f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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