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

반응식

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

참가 물질

반응물 2

HCID 134157962-cyclobutyl-1H-Benzimidazole

HCID 596034262-(1-((2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

생성물 1

HCID 596059112-(1-((2-(2-cyclobutyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

출처 및 근거

ORD 기록: ord-03cb42cfc7914350a14b6330fc729358
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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