4-(Ethylsulphonyl)benzeneboronic acid → 1-Methylethyl 4-({[4'-(ethylsulfonyl)-4-biphenylyl]oxy}methyl)-1-piperidinecarboxylate
반응식
[Br:15][c:16]1[cH:17][cH:18][c:19]([O:22][CH2:23][CH:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][CH:33]([CH3:34])[CH3:35])[CH2:28][CH2:29]2)[cH:20][cH:21]1.[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([B:12]([OH:13])[OH:14])[cH:10][cH:11]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([O:22][CH2:23][CH:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][CH:33]([CH3:34])[CH3:35])[CH2:28][CH2:29]3)[cH:20][cH:21]2)[cH:10][cH:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e0988eebc52748a0afe18d72de347f69
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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