1-[2-(4-Iodophenoxy)ethyl]-4-methylpiperidin-4-ol → 1-(2-{4-[5-(4-Chloro-2-methylphenyl)pyrazin-2-ylethynyl]phenoxy}ethyl)-4-methylpiperidin-4-ol

반응식

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

참가 물질

반응물 2

HCID 578453271-[2-(4-Iodophenoxy)ethyl]-4-methylpiperidin-4-ol

HCID 860769812-(4-Chloro-2-methylphenyl)-5-ethynylpyrazine

생성물 1

HCID 578453001-(2-{4-[5-(4-Chloro-2-methylphenyl)pyrazin-2-ylethynyl]phenoxy}ethyl)-4-methylpiperidin-4-ol

출처 및 근거

ORD 기록: ord-385d17b3239f4efeb8043ced2bc19afe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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