1-(Oxan-4-yl)piperazine → [3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

반응식

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

참가 물질

반응물 2

HCID 219423151-(Oxan-4-yl)piperazine

HCID 686745053-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbonyl]oxypropanoic acid

생성물 1

HCID 68674971[3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-ef7aba01c9b542f0a705f320b9405dec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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