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Potassium Cation → 1-[Bis(4-fluorophenyl)methyl]-4-[(3-fluorophenyl)carbamoylmethyl]-3,3-dimethylpiperazine

HRID 199033
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HRID 199033 반응식
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11]([CH3:15])([CH3:16])[NH:12][CH2:13][CH2:14]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1.[F:24][c:25]1[cH:26][c:27]([NH:31][C:32]([CH2:33][Cl:34])=[O:35])[cH:28][cH:29][cH:30]1.[K+:40].[K+:41].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11]([CH3:15])([CH3:16])[N:12]([CH2:33][C:32]([NH:31][c:27]3[cH:26][c:25]([F:24])[cH:30][cH:29][cH:28]3)=[O:35])[CH2:13][CH2:14]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1
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반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23889312-chloro-N-(3-fluorophenyl)acetamideHCID 198271101-[Bis(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

생성물 1

HCID 198271141-[Bis(4-fluorophenyl)methyl]-4-[(3-fluorophenyl)carbamoylmethyl]-3,3-dimethylpiperazine

출처 및 근거

ORD 기록
ord-6dcb4a4256854b49a75b5930752376e6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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