Ethanol → 4-[5-(1-Azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]aniline

HRID 665510

반응식

HRID 665510 반응식
[CH3:33][CH2:34][OH:35].[N:1]12[CH2:2][CH:3]([O:9][c:10]3[n:11][cH:12][c:13](-[c:16]4[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]5[cH:28][cH:29][cH:30][cH:31][cH:32]5)[cH:20][cH:21]4)[n:14][cH:15]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[N:1]12[CH2:2][CH:3]([O:9][c:10]3[n:11][cH:12][c:13](-[c:16]4[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]4)[n:14][cH:15]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

참가 물질

3

반응물 2

HCID 702EthanolHCID 69434813Benzyl 4-[5-(1-azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]phenylcarbamate

생성물 1

HCID 113470034-[5-(1-Azabicyclo[2.2.2]oct-3-yloxy)pyrazin-2-yl]aniline

출처 및 근거

ORD 기록
ord-fe7709db776d4246a52fe5d22f34a9fc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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