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N,N-Dimethylglycine → 1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

HRID 1547601
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HRID 1547601 반응식
[C:36](=[O:37])([O-:38])[O-:39].[CH3:29][N:30]([CH2:31][C:32](=[O:33])[OH:34])[CH3:35].[CH3:42][S:43]([CH3:44])=[O:45].[Cs+:40].[Cs+:41].[F:16][C:17]([c:18]1[n:19][nH:20][c:21]2[c:26]1[CH2:25][CH2:24][CH2:23][CH2:22]2)([F:27])[F:28].[I:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][cH:7]1>>[c:2]1(-[n:20]2[n:19][c:18]([C:17]([F:16])([F:27])[F:28])[c:26]3[c:21]2[CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:3][cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][cH:7]1
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HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 7726344-[(4-Iodophenyl)carbonyl]morpholineHCID 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

생성물 1

HCID 1316629
1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

출처 및 근거

ORD 기록
ord-5456104775ec4265bb4c9329e9a1c10a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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