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Sodium Ion → 3-Chloro-2-[4-(bis-[1,1-dimethylethoxycarbonyl]methyl)-3-nitrophenyl]-5-trifluoromethylpyridine

HRID 135996
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반응식

HRID 135996 반응식
[C:3]([CH2:4][C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])(=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:18][c:19]1[c:20](-[c:29]2[cH:30][c:31]([N+:36](=[O:37])[O-:38])[c:32]([F:35])[cH:33][cH:34]2)[n:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1.[H-:1].[Na+:2].[OH2:39]>>[C:3]([CH:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[c:32]1[c:31]([N+:36](=[O:37])[O-:38])[cH:30][c:29](-[c:20]2[c:19]([Cl:18])[cH:24][c:23]([C:25]([F:26])([F:27])[F:28])[cH:22][n:21]2)[cH:34][cH:33]1)(=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 68324Di-tert-butyl malonateHCID 166653HydrideHCID 221148423-Chloro-2-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)pyridine

생성물 1

HCID 22114838
3-Chloro-2-[4-(bis-[1,1-dimethylethoxycarbonyl]methyl)-3-nitrophenyl]-5-trifluoromethylpyridine

출처 및 근거

ORD 기록
ord-fe3ab9117095470bb9e9489ad509c0d8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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