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Dimethylformamide → 4-({1,6-Diethyl-5-[({[4-(4-{[4-(4-morpholinyl)butyl]oxy}butyl)phenyl]carbonyl}amino)methyl]-1H-pyrazolo[3,4-b]pyridin-4-yl}amino)-1-piperidinecarboxamide

HRID 2346531
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인쇄 미리보기

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HRID 2346531 반응식
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22]([NH:34][CH:35]3[CH2:36][CH2:37][N:38]([C:41](=[O:42])[NH2:43])[CH2:39][CH2:40]3)[c:23]3[c:24]([n:25][c:26]2[CH2:27][CH3:28])[n:29]([CH2:32][CH3:33])[n:30][cH:31]3)[cH:15][cH:16]1.[CH2:53]1[CH2:54][O:55][CH2:56][CH2:57][NH:58]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52]>>[CH2:2]([CH2:3][CH2:4][CH2:5][O:6][CH2:7][CH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22]([NH:34][CH:35]3[CH2:36][CH2:37][N:38]([C:41](=[O:42])[NH2:43])[CH2:39][CH2:40]3)[c:23]3[c:24]([n:25][c:26]2[CH2:27][CH3:28])[n:29]([CH2:32][CH3:33])[n:30][cH:31]3)[cH:15][cH:16]1)[N:58]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 8083MorpholineHCID 81531DiisopropylethylamineHCID 580247424-{[5-({[(4-{4-[(4-Bromobutyl)oxy]butyl}phenyl)carbonyl]amino}methyl)-1,6-diethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-1-piperidinecarboxamide

생성물 1

HCID 249851264-({1,6-Diethyl-5-[({[4-(4-{[4-(4-morpholinyl)butyl]oxy}butyl)phenyl]carbonyl}amino)methyl]-1H-pyrazolo[3,4-b]pyridin-4-yl}amino)-1-piperidinecarboxamide

출처 및 근거

ORD 기록
ord-530725dbe4534f999cc1f7c2548aaa6a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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