Methanol → 1-(3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(3,4-dimethoxyphenyl)piperidine
반응식
[CH3:41][OH:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10]2([OH:40])[C:11]([CH3:38])([CH3:39])[O:12][c:13]3[c:14]2[c:15]([CH3:37])[c:16]([N:21]2[CH2:22][CH2:23][CH:24]([c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[CH2:25][CH2:26]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:38])([CH3:39])[O:12][c:13]3[c:14]2[c:15]([CH3:37])[c:16]([N:21]2[CH2:22][CH2:23][CH:24]([c:27]4[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]4)[CH2:25][CH2:26]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-015878e987b34ce2b046e237695ad9d1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI