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2-[[4-[5-(4-Fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoic acid → 2-[[4-[5-(3,4-Dichlorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoic acid

HRID 97619
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인쇄 미리보기

반응식

HRID 97619 반응식
[CH2:31]([CH:32]1[CH2:33][O:34][C:35](=[O:36])[N:37]1[C:44]([CH:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][S:50](=[O:51])(=[O:52])[N:53]1[CH2:54][CH2:55][N:56]([c:59]2[n:60][cH:61][c:62](-[c:65]3[cH:66][c:67]([Cl:72])[c:68]([Cl:71])[cH:69][cH:70]3)[cH:63][n:64]2)[CH2:57][CH2:58]1)=[O:73])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[cH:7][n:8][c:9]([N:10]3[CH2:11][CH2:12][N:13]([S:14]([CH2:15][CH:16]([CH:17]([CH3:18])[CH3:19])[C:20]([OH:22])=[O:23])(=[O:21])=[O:24])[CH2:25][CH2:26]3)[n:27][cH:28]2)[cH:29][cH:30]1>>[O:21]=[C:44]([CH:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][S:50](=[O:51])(=[O:52])[N:53]1[CH2:54][CH2:55][N:56]([c:59]2[n:60][cH:61][c:62](-[c:65]3[cH:66][c:67]([Cl:72])[c:68]([Cl:71])[cH:69][cH:70]3)[cH:63][n:64]2)[CH2:57][CH2:58]1)[OH:73]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 226467042-[[4-[5-(4-Fluorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoic acidHCID 226467154-Benzyl-3-[2-[[4-[5-(3,4-dichlorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoyl]-1,3-oxazolidin-2-one

생성물 1

HCID 226466782-[[4-[5-(3,4-Dichlorophenyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-3-methylbutanoic acid

출처 및 근거

ORD 기록
ord-c37a3741648c4061ba54bb6883c6d55d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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