Toluene → (+/-)-7-chloro-6-[1-(2-fluorophenyl)ethylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
반응식
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[F:27][c:28]1[c:29]([CH:34]([CH3:35])[NH2:36])[cH:30][cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[c:3]([NH:36][CH:34]([c:29]2[c:28]([F:27])[cH:33][cH:32][cH:31][cH:30]2)[CH3:35])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-cc7ff7b230284eaa8eb056574dab2fd8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)