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Sodium Ion → 2-Methyl-3-[4-(2-[1,2,3]triazol-1-yl-ethanesulfinylmethyl)-phenoxymethyl]-6-(4-trifluoromethyl-phenyl)-pyridine

HRID 2332130
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HRID 2332130 반응식
[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:20][CH2:21][c:22]1[c:23]([CH3:38])[n:24][c:25](-[c:28]2[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)[cH:26][cH:27]1.[H-:18].[Na+:19].[OH2:39].[n:1]1([CH2:6][CH2:7][S:8](=[O:9])[CH2:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][S:8](=[O:9])[CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:21][c:22]3[c:23]([CH3:38])[n:24][c:25](-[c:28]4[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]4)[cH:26][cH:27]3)[cH:15][cH:16]2)[n:2][n:3][cH:4][cH:5]1
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참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 219357513-Chloromethyl-2-methyl-6-(4-trifluoromethyl-phenyl)-pyridineHCID 222420754-(2-[1,2,3]Triazol-1-yl-ethanesulfinylmethyl)-phenol

생성물 1

HCID 16065440
2-Methyl-3-[4-(2-[1,2,3]triazol-1-yl-ethanesulfinylmethyl)-phenoxymethyl]-6-(4-trifluoromethyl-phenyl)-pyridine

출처 및 근거

ORD 기록
ord-d5855e5ece4e4d7ba59cc7f905d9365e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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