Methanol → Tert-butyl 3-(6-(5-benzylbenzofuran-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propanoate
반응식
[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([CH:42]=[CH2:43])=[O:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:13][c:14](-[c:16]3[cH:17][c:18]4[c:23]([cH:24][cH:25]3)[CH2:22][NH:21][CH2:20][CH2:19]4)[o:15]2)[cH:26]1.[CH3:45][OH:46].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:13][c:14](-[c:16]3[cH:17][c:18]4[c:23]([cH:24][cH:25]3)[CH2:22][N:21]([CH2:43][CH2:42][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:44])[CH2:20][CH2:19]4)[o:15]2)[cH:26]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-6e660b27ad9b440588cc196b03adb824
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
- DOI