Diethyl butylmalonate → 4-n-Butyl-1-[4-(3-methoxyprop-1-ynyl)phenyl]-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octane

HRID 170359

반응식

HRID 170359 반응식
[CH2:1]([CH:2]([C:3]([O:4][CH2:5][CH3:6])=[O:7])[C:8]([O:9][CH2:10][CH3:11])=[O:12])[CH2:13][CH2:14][CH3:15].[CH3:16][O:17][CH2:18][C:19]#[C:20][c:21]1[cH:22][cH:23][c:24]([C:27]23[O:28][CH:29]([C:38]([F:39])([F:40])[F:41])[C:30]([CH2:35][CH2:36][CH3:37])([CH2:31][O:32]2)[CH2:33][O:34]3)[cH:25][cH:26]1>>[CH3:1][CH2:37][CH2:36][CH2:35][C:30]12[CH:29]([C:38]([F:39])([F:40])[F:41])[O:28][C:27]([c:24]3[cH:23][cH:22][c:21]([C:20]#[C:19][CH2:18][O:17][CH3:16])[cH:26][cH:25]3)([O:32][CH2:31]1)[O:34][CH2:33]2

참가 물질

3

반응물 2

HCID 67244Diethyl butylmalonateHCID 150219841-[4-(3-Methoxyprop-1-ynyl)phenyl]-4-n-propyl-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octane

생성물 1

HCID 150219904-n-Butyl-1-[4-(3-methoxyprop-1-ynyl)phenyl]-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octane

출처 및 근거

ORD 기록
ord-48612796ccd1489a9eef29c383957d18
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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