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Sodium Ion → trans-3-{4-[(5-Bromo-pyridin-2-yl)-methyl-amino]-cyclohexyl}-prop-2-yn-1-ol

HRID 2347541
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HRID 2347541 반응식
[Br:13][c:14]1[cH:15][cH:16][c:17]([F:20])[n:18][cH:19]1.[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][CH:6]([C:9]#[C:10][CH2:11][OH:12])[CH2:7][CH2:8]1.[I-:30].[Na+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][CH:6]([C:9]#[C:10][CH2:11][OH:12])[CH2:7][CH2:8]1)[c:17]1[cH:16][cH:15][c:14]([Br:13])[cH:19][n:18]1
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반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 27831685-Bromo-2-fluoropyridineHCID 22236325trans-3-(4-Methylamino-cyclohexyl)-prop-2-yn-1-ol

생성물 1

HCID 22236380trans-3-{4-[(5-Bromo-pyridin-2-yl)-methyl-amino]-cyclohexyl}-prop-2-yn-1-ol

출처 및 근거

ORD 기록
ord-461fb00ebe174887b5e66f0535646b49
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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