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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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N,N-Dimethyl-3-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-amine → N-[3-({5-[2-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4-pyrimidinyl]-2-Pyridinyl}oxy)propyl]-N,N-dimethylamine

HRID 2344722
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HRID 2344722 반응식
[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][O:31][c:32]1[n:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1)[CH3:47].[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1>>[c:2]1(-[c:35]2[cH:34][n:33][c:32]([O:31][CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:47])[cH:37][cH:36]2)[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1
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반응물 2

HCID 17998906N,N-Dimethyl-3-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-amineHCID 442492591-[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]-2-(difluoromethyl)-1H-benzimidazole

생성물 1

HCID 49869213N-[3-({5-[2-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4-pyrimidinyl]-2-Pyridinyl}oxy)propyl]-N,N-dimethylamine

출처 및 근거

ORD 기록
ord-5e3bdc9c69fe46288dcc0915ec90f5fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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