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Potassium Cation → 1-[4,4-Bis(4-fluorophenyl)butyl]-4-(phenylmethyl)-2-piperazinecarboxamide

HRID 2130863
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HRID 2130863 반응식
[CH3:44][CH:45]([CH3:46])[CH2:47][C:48](=[O:49])[CH3:50].[Cl:17][CH2:18][CH2:19][CH2:20][CH:21]([c:22]1[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]1)[c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1.[I-:43].[K+:42].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[c:1]1([CH2:7][N:8]2[CH2:9][CH:10]([C:14](=[O:15])[NH2:16])[NH:11][CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][N:8]2[CH2:9][CH:10]([C:14](=[O:15])[NH2:16])[N:11]([CH2:18][CH2:19][CH2:20][CH:21]([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium CationHCID 923Sodium Ion2회HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)HCID 142302664-Benzylpiperazine-2-carboxamide

생성물

1
HCID 212956801-[4,4-Bis(4-fluorophenyl)butyl]-4-(phenylmethyl)-2-piperazinecarboxamide

출처 및 근거

ORD 기록
ord-05ebb04c254849c0a514981dd9d0dc39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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