Ethanol → tert-Butyl(4-{4-[2,4-bis(methoxymethoxy)phenyl]cyclohexyl}phenoxy)dimethyl silane

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 23938Palladium

HCID 22337758tert-Butyl(4-{4-[2,4-bis(methoxymethoxy)phenyl]-3-cyclohexen-1-yl}phenoxy) dimethylsilane

생성물 1

HCID 22337754tert-Butyl(4-{4-[2,4-bis(methoxymethoxy)phenyl]cyclohexyl}phenoxy)dimethyl silane

출처 및 근거

ORD 기록: ord-47c0b2deb263420db3a25331c51b5574
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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