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Chloride → Acetic acid 1-benzyl-4-[methyl-(4-trifluoromethoxy-phenyl)-carbamoyl]-piperidin-4-yl ester

HRID 143379
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HRID 143379 반응식
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:18](=[O:19])[OH:20])[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:9][CH2:10]1.[CH3:22][NH:23][c:24]1[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]1.[Cl-:21].[Cl:41][CH2:42][Cl:43].[K+:40].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[S:35](=[O:36])(=[O:37])([OH:38])[O-:39]>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:18](=[O:20])[N:23]([CH3:22])[c:24]2[cH:25][cH:26][c:27]([O:30][C:31]([F:32])([F:33])[F:34])[cH:28][cH:29]2)[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:9][CH2:10]1
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반응물 7

HCID 312ChlorideHCID 813Potassium CationHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 61778Sulfate, hydrogenHCID 737351n-Methyl-4-(trifluoromethoxy)anilineHCID 533022524-(Acetyloxy)-1-benzylpiperidine-4-carboxylic acid

생성물 1

HCID 58129329Acetic acid 1-benzyl-4-[methyl-(4-trifluoromethoxy-phenyl)-carbamoyl]-piperidin-4-yl ester

출처 및 근거

ORD 기록
ord-1fc6dc5f7d29428ea25200d5fb695892
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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