HCID 10958012, 화합물 → 3-(3-{4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-5-hydroxymethyl-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

반응식

[Cl:20][CH2:21][CH2:22][CH2:23][n:24]1[c:25](=[O:41])[n:26]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[cH:27][c:28]([CH2:31][OH:32])[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:41])[n:26]([CH2:33][O:34][CH2:35][CH2:36][Si:37]([CH3:38])([CH3:39])[CH3:40])[cH:27][c:28]([CH2:31][OH:32])[c:29]3=[O:30])[CH2:12][CH2:13]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 10958012HCID 10958012, 화합물

HCID 701981953-(3-chloropropyl)-5-hydroxymethyl-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

생성물 1

HCID 701982533-(3-{4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-5-hydroxymethyl-1-[2-(trimethylsilyl)ethoxymethyl]-2,4(1H,3H)-pyrimidinedione

출처 및 근거

ORD 기록: ord-8678bf4d67ec43d395cb9a47b167027f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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