HCID 10958012, 화합물 → 3-(3-{4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

반응식

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

참가 물질

반응물 2

HCID 10958012HCID 10958012, 화합물

HCID 158406683-(3-chloropropyl)-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 702022963-(3-{4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-4411921a8f9e4ea783527264a3ffc9b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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