1-Methyl-4,4'-bipiperidine → 2-indan-5-ylmethyl-1-(1'-methyl-[4,4']bipiperidinyl-1-yl)-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butan-1,4-dione

반응식

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

참가 물질

반응물 2

HCID 71830411-Methyl-4,4'-bipiperidine

HCID 685791642-indan-5-ylmethyl-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoic acid

생성물 1

HCID 592609892-indan-5-ylmethyl-1-(1'-methyl-[4,4']bipiperidinyl-1-yl)-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butan-1,4-dione

출처 및 근거

ORD 기록: ord-eb42d9ba6e294422946ff3a43314a627
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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