Toluene → {2-[3-(Propyl-cyclopentyl-carbamoyl)-5-chloro-phenoxy]-ethyl}-pyridin-4-yl-carbamic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1)[CH2:14][CH2:15][O:16][c:17]1[cH:18][c:19]([C:24]([N:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[CH2:31][CH:32]=[CH2:33])=[O:34])[cH:20][c:21]([Cl:23])[cH:22]1)=[O:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[H:36][H:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[cH:9][cH:10][n:11][cH:12][cH:13]1)[CH2:14][CH2:15][O:16][c:17]1[cH:18][c:19]([C:24]([N:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30]2)[CH2:31][CH2:32][CH3:33])=[O:34])[cH:20][c:21]([Cl:23])[cH:22]1)=[O:35]참가 물질
4
출처 및 근거
- ORD 기록
- ord-0f02ab158b9f4670aa5288a62c29b3cf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI