Isobutyryl chloride → Tert-butyl 3-(4-bromo-3-isobutyrylaminobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

반응식

[C:44]([CH:45]([CH3:46])[CH3:47])(=[O:48])[Cl:49].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH:7]2[CH2:8][N:9]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][c:25]3[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:17][cH:18]2)[cH:40][cH:41][c:42]1[Br:43]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][O:6][CH:7]2[CH2:8][N:9]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:10][CH2:11][CH:12]2[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][c:25]3[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]3)[cH:17][cH:18]2)[cH:40][cH:41][c:42]1[Br:43])[C:44]([CH:45]([CH3:46])[CH3:47])=[O:48]

참가 물질

반응물 2

HCID 62325Isobutyryl chloride

HCID 68504899Tert-butyl 3-(3-amino-4-bromobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

생성물 1

HCID 68500125Tert-butyl 3-(4-bromo-3-isobutyrylaminobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-c7b6b397f67b43ce9cb73d6b7bdcb181
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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