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Sodium Ion → 1-(methylsulfonyl)-4-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole

HRID 2147738
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HRID 2147738 반응식
[CH3:34][S:35]([Cl:36])(=[O:37])=[O:38].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[cH:23][cH:24][nH:25][c:26]4[cH:27][cH:28][cH:29]3)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:30])[F:31].[H-:33].[Na+:32].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[cH:23][cH:24][n:25]([S:35]([CH3:34])(=[O:37])=[O:38])[c:26]4[cH:27][cH:28][cH:29]3)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:30])[F:31]
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 31297Methanesulfonyl chlorideHCID 166653HydrideHCID 592141764-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole

생성물 1

HCID 59214164
1-(methylsulfonyl)-4-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole

출처 및 근거

ORD 기록
ord-5c0a6550be6c4acbac96e8c12830a5ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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