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Sodium Ion → 5-[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenoxymethyl]-[2-(4-trifluoromethyl-phenyl)]-pyridine

HRID 152067
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반응식

HRID 152067 반응식
[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:19][CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[n:25][cH:26]1.[H-:1].[Na+:2].[OH2:37].[n:3]1([CH2:8][CH2:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]2)[n:4][n:5][cH:6][cH:7]1>>[n:3]1([CH2:8][CH2:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH2:20][c:21]3[cH:22][cH:23][c:24](-[c:27]4[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[n:25][cH:26]3)[cH:16][cH:17]2)[n:4][n:5][cH:6][cH:7]1
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HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 121094944-(4-[1,2,3]Triazol-1-yl-butyl)phenolHCID 219357755-Chloromethyl-2-(4-trifluoromethyl-phenyl)-pyridine

생성물 1

HCID 16065029
5-[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenoxymethyl]-[2-(4-trifluoromethyl-phenyl)]-pyridine

출처 및 근거

ORD 기록
ord-8b27c1d24a064987ae5e08f60c6389af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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