Ethanol → Trifluoroacetic acid

HRID 2333999노트

반응식

HRID 2333999 반응식
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]1[C:16]2([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:17]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:18][CH2:19][CH:20]1[CH:21]([C:23](=[O:24])[OH:25])[CH2:22]2.[CH3:48][CH2:49][OH:50].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:15]1[C:16]2([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH:17]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:18][CH2:19][CH:20]1[CH:21]([C:23](=[O:24])[OH:25])[CH2:22]2

참가 물질

5

반응물 3

HCID 702EthanolHCID 6422Trifluoroacetic acidHCID 879498388-Benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid

생성물 2

HCID 6422Trifluoroacetic acidHCID 879496422-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid

출처 및 근거

ORD 기록
ord-760940bb65884d7887f2ec01f926edaf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

반응 노트

불러오는 중…