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

HRID 116890

반응식

HRID 116890 반응식
[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].[F:37][C:38]([c:39]1[cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53]>>[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]([C:42]([c:41]2[cH:40][c:39]([C:38]([F:37])([F:52])[F:53])[cH:47][c:46]([C:48]([F:49])([F:50])[F:51])[cH:45]2)=[O:43])[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

4

반응물 3

HCID 313Hydrochloric AcidHCID 128893,5-Bis(trifluoromethyl)benzoic acidHCID 876778643-Benzhydryl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidine

생성물 1

HCID 87676679[3-Benzhydryl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

출처 및 근거

ORD 기록
ord-13bd317e38b6407f8260ea0e04fcbe35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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