Hydrochloric Acid → 3-Benzhydryl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methylsulfonylpiperidine

반응식

[CH3:37][S:38](=[O:39])(=[O:40])[Cl:41].[CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][NH:17][CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1.[ClH:1]>>[CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][N:17]([S:38]([CH3:37])(=[O:39])=[O:40])[CH2:18][CH2:19][CH:20]1[O:21][CH2:22][c:23]1[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 31297Methanesulfonyl chloride

HCID 876778643-Benzhydryl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidine

생성물 1

HCID 876774453-Benzhydryl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-methylsulfonylpiperidine

출처 및 근거

ORD 기록: ord-baa6077c9bdb4748b9a2a0abd31750d7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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