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2-(4-Bromophenyl)propanoic acid → (4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-phenyl)-propionic acid

HRID 111914
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인쇄 미리보기

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HRID 111914 반응식
[Br:26][c:27]1[cH:28][cH:29][c:30]([CH:33]([C:34](=[O:35])[OH:36])[CH3:37])[cH:31][cH:32]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][n:15][c:16]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:25])[cH:8][cH:9][cH:10]1.[C:38]([c:39]1[cH:40][c:41]([NH:42][C:43]([c:44]2[cH:45][cH:46][c:47]([N:48]3[CH2:49][CH2:50][N:51]([c:52]4[cH:53][cH:54][c:55]([C:56]([OH:57])=[O:58])[cH:59][cH:60]4)[CH2:61][CH2:62]3)[c:63]([F:64])[cH:65]2)=[O:66])[cH:67][cH:68][cH:69]1)([CH3:70])([CH3:71])[CH3:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][n:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([c:27]4[cH:28][cH:29][c:30]([CH:33]([C:34](=[O:35])[OH:36])[CH3:37])[cH:31][cH:32]4)[CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:25])[cH:8][cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 5214412-(4-Bromophenyl)propanoic acidHCID 59318114N-(3-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamideHCID 593181934-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid

생성물 1

HCID 67356842(4-{4-[5-(3-tert-Butyl-phenylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-phenyl)-propionic acid

출처 및 근거

ORD 기록
ord-b09ededcbe6d4bde9dd63aa7fcd92928
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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