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Sodium Ion → 5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile

HRID 1231956
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HRID 1231956 반응식
[Cl:8][c:9]1[cH:10][c:11]([C:16]2([C:30]([F:31])([F:32])[F:33])[CH2:17][N:18]([c:21]3[cH:22][cH:23][c:24]([F:29])[c:25]([C:26]#[N:27])[cH:28]3)[CH2:19][CH2:20]2)[cH:12][c:13]([Cl:15])[cH:14]1.[H-:6].[Na+:7].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:34].[nH:1]1[n:2][cH:3][n:4][cH:5]1>>[n:1]1(-[c:24]2[cH:23][cH:22][c:21]([N:18]3[CH2:17][C:16]([c:11]4[cH:10][c:9]([Cl:8])[cH:14][c:13]([Cl:15])[cH:12]4)([C:30]([F:31])([F:32])[F:33])[CH2:20][CH2:19]3)[cH:28][c:25]2[C:26]#[N:27])[n:2][cH:3][n:4][cH:5]1
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HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 166653HydrideHCID 582188895-[3-(3,5-Dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]2-fluorobenzonitrile

생성물 1

출처 및 근거

ORD 기록
ord-7c946b40bf6b46de8d3141152b042e15
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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HCID 58218891
5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile