Formic Acid → 4-[2-Fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 1140Toluene

HCID 669672468-[2-Fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-1,4-dioxaspiro[4.5]decane

생성물 1

HCID 671716804-[2-Fluoro-4-(4'-pentyl-1,1'-bicyclohexane-4-yl)phenyl]cyclohexanone

출처 및 근거

ORD 기록: ord-4fa1ddd4444d445d80bd2b701e64d8fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…