Imidazole → tert-Butyl 3-{2-[2-(2-imidazol-1-ylethyl)phenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

반응식

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

참가 물질

반응물 2

HCID 795Imidazole

HCID 86609986Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylate

생성물 1

HCID 68501509tert-Butyl 3-{2-[2-(2-imidazol-1-ylethyl)phenoxy]ethoxy}-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-78890cf4f85649f19d4f5ae8be243ab1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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