Methane → 1-(2-Trifluoromethyl-3-fluoro-4-ethoxyphenyl)-2-(4-(4-propylcyclohexyl)cyclohexyl)ethane

반응식

[C:32].[CH2:1]([CH2:2][CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([CH:10]2[CH2:11][CH2:12][CH:13]([CH:16]=[CH:17][c:18]3[c:19]([C:28]([F:29])([F:30])[F:31])[c:20]([F:27])[c:21]([O:24][CH2:25][CH3:26])[cH:22][cH:23]3)[CH2:14][CH2:15]2)[CH2:8][CH2:9]1.[Pd:33]>>[CH2:1]([CH2:2][CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([CH:10]2[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][c:18]3[c:19]([C:28]([F:29])([F:30])[F:31])[c:20]([F:27])[c:21]([O:24][CH2:25][CH3:26])[cH:22][cH:23]3)[CH2:14][CH2:15]2)[CH2:8][CH2:9]1

참가 물질

반응물 3

HCID 297Methane

HCID 23938Palladium

HCID 67058734beta-(4-(4-Propylcyclohexyl)cyclohexyl)-2-trifluoromethyl-3-fluoro-4-ethoxy styrene

생성물 1

HCID 231597101-(2-Trifluoromethyl-3-fluoro-4-ethoxyphenyl)-2-(4-(4-propylcyclohexyl)cyclohexyl)ethane

출처 및 근거

ORD 기록: ord-f11213430c5c4c2687e9e93fb1c84aee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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