2-Methyl-2-(piperidin-4-yl)propan-1-ol → 2-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)-2-methylpropan-1-ol

반응식

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

참가 물질

반응물 2

HCID 134781402-Methyl-2-(piperidin-4-yl)propan-1-ol

HCID 674922148-bromomethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

생성물 1

HCID 596056732-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)-2-methylpropan-1-ol

출처 및 근거

ORD 기록: ord-19b66bf8fe5041fa88ff4720800c2a36
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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