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Acetic Acid → Tert-butyl 1-(4-(5-(3-(pyridin-2-yl)-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

HRID 2140660
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인쇄 미리보기

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HRID 2140660 반응식
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][o:11][c:12](-[c:14]3[c:15]([C:25]([F:26])([F:27])[F:28])[c:16](-[c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[n:17][o:18]3)[n:13]2)[cH:7][cH:8]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][OH:63].[NH:29]1[CH2:30][CH:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][o:11][c:12](-[c:14]3[c:15]([C:25]([F:26])([F:27])[F:28])[c:16](-[c:19]4[n:20][cH:21][cH:22][cH:23][cH:24]4)[n:17][o:18]3)[n:13]2)[cH:7][cH:8]1)[N:29]1[CH2:30][CH:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 21828700tert-Butyl azetidine-3-carboxylateHCID 58062842HCID 58062842, 화합물

생성물 1

HCID 58062837
Tert-butyl 1-(4-(5-(3-(pyridin-2-yl)-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

출처 및 근거

ORD 기록
ord-7c343c6f31b74db29f6e5eb3124dc8df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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