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Water → 4-[4-(4,5-dihydro-3-phenyl-5-isoxazolyl)-2-thiazolyl]-1-[(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl]piperidine

HRID 153880
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HRID 153880 반응식
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:18](=[CH2:19])[c:20]1[n:21][c:22]([CH:25]2[CH2:26][CH2:27][N:28]([C:31]([CH2:32][n:33]3[n:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][c:37]3[CH3:38])=[O:43])[CH2:29][CH2:30]2)[s:23][cH:24]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[N:8][OH:9].[Cl:10][N:11]1[C:12](=[O:13])[CH2:14][CH2:15][C:16]1=[O:17].[OH2:56]>>[C:1]1([c:2]2[cH:3][cH:4][cH:5][cH:6][cH:7]2)=[N:8][O:9][CH:18]([c:20]2[n:21][c:22]([CH:25]3[CH2:26][CH2:27][N:28]([C:31]([CH2:32][n:33]4[n:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][c:37]4[CH3:38])=[O:43])[CH2:29][CH2:30]3)[s:23][cH:24]2)[CH2:19]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 12143(Z)-Benzaldehyde oximeHCID 31398ChlorosuccinimideHCID 687425534-(4-ethenyl-2-thiazolyl)-1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]piperidine

생성물 1

HCID 68745205
4-[4-(4,5-dihydro-3-phenyl-5-isoxazolyl)-2-thiazolyl]-1-[(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl]piperidine

출처 및 근거

ORD 기록
ord-d9029446f1cf49c28d86e4d0ac4e7b10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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