4-Methoxybutanoyl chloride → tert-Butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(4-methoxybutyrylamino)benzyloxy]piperidine-1-carboxylate

반응식

[CH3:43][O:44][CH2:45][CH2:46][CH2:47][C:48](=[O:49])[Cl:50].[NH2:1][c:2]1[c:3]([CH2:4][O:5][CH:6]2[CH2:7][N:8]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:9][CH2:10][CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][O:22][CH2:23][c:24]3[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]3)[cH:16][cH:17]2)[cH:39][cH:40][cH:41][cH:42]1>>[NH:1]([c:2]1[c:3]([CH2:4][O:5][CH:6]2[CH2:7][N:8]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:9][CH2:10][CH:11]2[c:12]2[cH:13][cH:14][c:15]([O:18][CH2:19][CH2:20][CH2:21][O:22][CH2:23][c:24]3[c:25]([O:30][CH3:31])[cH:26][cH:27][cH:28][cH:29]3)[cH:16][cH:17]2)[cH:39][cH:40][cH:41][cH:42]1)[C:48]([CH2:47][CH2:46][CH2:45][O:44][CH3:43])=[O:49]

참가 물질

반응물 2

HCID 127949894-Methoxybutanoyl chloride

HCID 68506158Tert-butyl 3-(2-aminobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

생성물 1

HCID 68502090tert-Butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(4-methoxybutyrylamino)benzyloxy]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-9d226ed3843244b1aa2a3c0b949aec8f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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