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Potassium Cation → N-(3-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide

HRID 2127251
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HRID 2127251 반응식
[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:9]([CH3:12])[cH:10][cH:11]1)[CH3:19].[Cl:20][CH2:21][CH2:22][CH2:23][CH:24]([c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1.[I-:39].[K+:41].[K+:42].[Na+:40].[O-:43][C:44]([O-:45])=[O:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:52]>>[CH3:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][c:8]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH2:22][CH2:23][CH:24]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:17][CH2:18]2)[c:9]([CH3:12])[cH:10][cH:11]1)[CH3:19]
참가 물질출처 및 근거반응 노트

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9

반응물 8

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)
HCID 16757254
2-Methyl-N-[4-methyl-3-(4-piperidinyl)phenyl]propanamide

생성물 1

HCID 22048974N-(3-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide

출처 및 근거

ORD 기록
ord-32daab5ff33f4e1e9b729aa1a002eaf8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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