Acetic Acid → 2-(3,5-Bis(trifluoromethyl)benzyloxy)-1-phenyl-8-aza-bicyclo[3.2.1]octane

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 8857Ethyl Acetate

HCID 227246028-Benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octane

생성물 1

HCID 227245802-(3,5-Bis(trifluoromethyl)benzyloxy)-1-phenyl-8-aza-bicyclo[3.2.1]octane

출처 및 근거

ORD 기록: ord-57267bfc2d8c4ede86bd3f0ac8cd3e0d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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