Ethanol → HCID 178474646, 화합물

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

참가 물질

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HCID 702Ethanol

HCID 3379052-chloro-6-(trifluoromethyl)-1H-benzimidazole

HCID 178474647N-[[5-chloro-6-(3-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

생성물 1

HCID 178474646HCID 178474646, 화합물

출처 및 근거

ORD 기록: ord-439b1acb0e2a4f84a3d6c3293b4a22a4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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