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Potassium Cation → Hydrochloric Acid

HRID 122544
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HRID 122544 반응식
[CH3:50][CH:51]([CH3:52])[CH2:53][C:54](=[O:55])[CH3:56].[Cl:29][CH2:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[NH:16][CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1.[I-:49].[K+:48].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[ClH:29].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[N:16]([CH2:30][C:31](=[O:32])[NH:33][c:34]3[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]3)[CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 7

HCID 813Potassium CationHCID 923Sodium Ion2회HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 7358522-chloro-N-(5-fluoro-2-methylphenyl)acetamideHCID 147225494-[5,5-Bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide

생성물 2

HCID 313Hydrochloric AcidHCID 147225844-[5,5-Bis(4-fluorophenyl)pentyl]-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperazine-2-carboxamide

출처 및 근거

ORD 기록
ord-900c82f91f4845a0906139e655725403
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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