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Potassium Cation → Methyl 5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzoate

HRID 144591
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HRID 144591 반응식
[C:33](=[O:34])([O-:35])[O-:36].[CH3:41][C:42](=[O:43])[CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1.[Cl:21][c:22]1[cH:23][cH:24][c:25]([OH:32])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31]1.[I-:40].[K+:37].[K+:38].[K+:39]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[O:32][c:25]1[cH:24][cH:23][c:22]([Cl:21])[cH:31][c:26]1[C:27](=[O:28])[O:29][CH3:30]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation3회HCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 77684Benzoic acid, 5-chloro-2-hydroxy-, methyl esterHCID 219732762-Chloro-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanone

생성물 1

HCID 22263833Methyl 5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzoate

출처 및 근거

ORD 기록
ord-6ed2799b9fd34a87ba2e3a7eb99c3c88
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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