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Sodium Ion → 4-(4-Iodo-phenyl)-4-{[methyl-(2,2,2-trifluoro-acetyl)-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 2349651
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HRID 2349651 반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][C:13]([CH2:16][NH:17][C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])([c:24]2[cH:25][cH:26][c:27]([I:30])[cH:28][cH:29]2)[CH2:14][CH2:15]1.[CH3:31][I:32].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[H-:1].[Na+:2].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][C:13]([CH2:16][N:17]([C:18]([C:19]([F:20])([F:21])[F:22])=[O:23])[CH3:31])([c:24]2[cH:25][cH:26][c:27]([I:30])[cH:28][cH:29]2)[CH2:14][CH2:15]1
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HCID 923Sodium IonHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 207794704-(4-Iodo-phenyl)-4-[(2,2,2-trifluoro-acetylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 20779471
4-(4-Iodo-phenyl)-4-{[methyl-(2,2,2-trifluoro-acetyl)-amino]-methyl}-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b3f945ec6d564780bf0b38dfac964c76
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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