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Potassium Cation → 2-(4-Chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone

HRID 211208
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HRID 211208 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:39][C:40](=[O:41])[CH2:42][CH3:43].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:19])[CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1.[Cl:20][c:21]1[cH:22][c:23]([N+:28](=[O:29])[O-:30])[c:24]([OH:27])[cH:25][cH:26]1.[I-:38].[K+:35].[K+:36].[K+:37]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:19])[CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[O:27][c:24]1[c:23]([N+:28](=[O:29])[O-:30])[cH:22][c:21]([Cl:20])[cH:26][cH:25]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation3회HCID 6569Methyl Ethyl KetoneHCID 69804-Chloro-2-nitrophenolHCID 19660Carbonate IonHCID 30165Iodide IonHCID 219734602-Chloro-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone

생성물 1

HCID 21973487
2-(4-Chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone

출처 및 근거

ORD 기록
ord-1b86a7e83d3f44fda2740363ed98c152
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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