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Dimethylformamide → 2-bromo-N-[3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

HRID 1204049
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인쇄 미리보기

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HRID 1204049 반응식
[Br:50][c:51]1[c:52]([C:53](=[O:54])[OH:55])[c:56]([CH3:60])[cH:57][cH:58][n:59]1.[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[NH2:1][CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][c:19]2[CH3:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH2:11]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[NH:1]([CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][c:19]2[CH3:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[CH2:10][CH2:11]1)[C:53]([c:52]1[c:51]([Br:50])[n:59][cH:58][cH:57][c:56]1[CH3:60])=[O:54]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 190660622-Bromo-4-methyl-nicotinic acidHCID 689693251-(4-aminobutan-2-yl)-N-(4-methoxyphenyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine

생성물 1

HCID 750377672-bromo-N-[3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

출처 및 근거

ORD 기록
ord-4d76668ab1154637862d6c417104d617
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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