1-(2-(4-Iodophenoxy)ethyl)-4-methylpiperidine → 5-(4-Chlorophenyl)-2-{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenylethynyl}pyridin-3-ylamine

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([NH2:16])[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][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([NH2:16])[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][CH:28]([CH3:31])[CH2:29][CH2:30]4)[cH:32][cH:33]3)[n:12][cH:13]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 690610171-(2-(4-Iodophenoxy)ethyl)-4-methylpiperidine

HCID 860770605-(4-Chlorophenyl)-2-ethynylpyridin-3-ylamine

생성물 1

HCID 114960185-(4-Chlorophenyl)-2-{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenylethynyl}pyridin-3-ylamine

출처 및 근거

ORD 기록: ord-766301b15ae247af8ee4cd29f0244bc0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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