Ethanol → Tert-butyl 3-(6-(5-cyclopentylbenzofuran-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propanoate
반응식
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][CH2:53][OH:54].[CH:1]1([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][c:12]([B:14]([OH:15])[OH:16])[o:13]3)[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[F:18][C:19]([F:20])([F:21])[S:22]([O:23][c:24]1[cH:25][c:26]2[c:31]([cH:32][cH:33]1)[CH2:30][N:29]([CH2:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:28][CH2:27]2)(=[O:43])=[O:44]>>[CH:1]1([c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:11][c:12](-[c:24]4[cH:25][c:26]5[c:31]([cH:32][cH:33]4)[CH2:30][N:29]([CH2:34][CH2:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:28][CH2:27]5)[o:13]3)[cH:17]2)[CH2:2][CH2:3][CH2:4][CH2:5]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-77f8365d6f1748a0a10f7f1dbd5bdc25
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
- DOI