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Potassium Cation → 2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide

HRID 134926
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HRID 134926 반응식
[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:13][CH2:14]1)(=[O:4])=[O:5].[CH3:42][C:43]#[N:44].[K+:39].[K+:40].[NH2:23][c:24]1[c:25]([C:26](=[O:27])[N:28]([CH3:29])[CH3:30])[cH:31][cH:32][cH:33][cH:34]1.[OH2:41]>>[CH2:6]([CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][N:12]([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH2:13][CH2:14]1)[NH:23][c:24]1[c:25]([C:26](=[O:27])[N:28]([CH3:29])[CH3:30])[cH:31][cH:32][cH:33][cH:34]1
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HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 47781752-Amino-N,N-dimethylbenzamideHCID 108061843-(4-(2-Methoxyphenyl)piperazin-1-yl)propyl methanesulfonate

생성물 1

HCID 10572854
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide

출처 및 근거

ORD 기록
ord-658ecfe388c44b4cb71ef0cc5dff6ca5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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