Ethanol → 6-Methoxy-10-(4-methoxy-phenyl)-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 8028Tetrahydrofuran

HCID 666519406-Methoxy-10-(4-methoxy-phenyl)-1,2,3,4,4a,10a-hexahydro-phenanthrene

생성물 1

HCID 666521086-Methoxy-10-(4-methoxy-phenyl)-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

출처 및 근거

ORD 기록: ord-3c61b2c6494643f2be1296e5adc5cdfe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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