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Potassium Cation → 9-[8-(2,2,2-Trifluoroacetyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-9H-xanthene-3-carbonitrile

HRID 1219115
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HRID 1219115 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[CH:6]2[CH:16]1[CH2:17][CH:18]2[CH2:19][CH2:20][CH:21]([CH2:22]1)[N:23]2[C:24]([C:25]([F:26])([F:27])[F:28])=[O:29].[Cu:30]([C:31]#[N:32])[C:33]#[N:34].[I-:36].[K+:35].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([C:31]#[N:32])[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][cH:11]1)[CH:6]2[CH:16]1[CH2:17][CH:18]2[CH2:19][CH2:20][CH:21]([CH2:22]1)[N:23]2[C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]
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HCID 813Potassium CationHCID 6228DimethylformamideHCID 30165Iodide IonHCID 578392651-[3-(3-Bromo-9H-xanthen-9-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-2,2,2-trifluoroethanoneHCID 178418260HCID 178418260, 화합물

생성물 1

HCID 578392559-[8-(2,2,2-Trifluoroacetyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-9H-xanthene-3-carbonitrile
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출처 및 근거

ORD 기록
ord-405cbba3ce2349f0927a3791a5eac345
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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