2-Chloromethyl-1,4-dimethoxy-naphthalene → tert-butyl (3RS,4RS)-3-(1,4-dimethoxy-naphthalen-2-ylmethoxy)-4-[4-(4-phenoxy-butoxy)-phenyl]-piperidine-1-carboxylate
반응식
[Cl:33][CH2:34][c:35]1[c:36]([O:47][CH3:48])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[c:43]([O:45][CH3:46])[cH:44]1.[OH:1][CH:2]1[CH2:3][N:4]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1>>[O:1]([CH:2]1[CH2:3][N:4]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1)[CH2:34][c:35]1[c:36]([O:47][CH3:48])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[c:43]([O:45][CH3:46])[cH:44]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-03538849e3544dba93630e399a52cdb2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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