HCID 19593725, 화합물 → Tert-butyl 3-[1-[2-(2-acetamidoethyl)anilino]-1-oxopropan-2-yl]oxy-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

반응식

[C:1](=[O:2])([OH:3])[CH:4]([CH3:5])[O:6][CH:7]1[CH2:8][N:9]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:10][CH2:11][CH:12]1[c:13]1[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][c:25]2[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]2)[cH:17][cH:18]1.[NH2:40][c:41]1[c:42]([CH2:47][CH2:48][NH:49][C:50]([CH3:51])=[O:52])[cH:43][cH:44][cH:45][cH:46]1>>[C:1](=[O:3])([CH:4]([CH3:5])[O:6][CH:7]1[CH2:8][N:9]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:10][CH2:11][CH:12]1[c:13]1[cH:14][cH:15][c:16]([O:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][c:25]2[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]2)[cH:17][cH:18]1)[NH:40][c:41]1[c:42]([CH2:47][CH2:48][NH:49][C:50]([CH3:51])=[O:52])[cH:43][cH:44][cH:45][cH:46]1

참가 물질

반응물 2

HCID 19593725HCID 19593725, 화합물

HCID 68497738Tert-butyl 3-(1(r,s)-carboxyethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

생성물 1

HCID 68502339Tert-butyl 3-[1-[2-(2-acetamidoethyl)anilino]-1-oxopropan-2-yl]oxy-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-313bc28657014c35ba642dd6e506b096
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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