Acetonitrile → [(3RS,4SR)-4-(3,4-Dichloro-phenyl)-pyrrolidin-3-yl]-(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amine
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([N:21]([CH3:22])[CH2:23][c:24]2[cH:25][c:26]([F:34])[c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1.[CH3:44][C:45]#[N:46].[Cl:35][C:36]([O:37][CH2:38][C:39]([Cl:40])([Cl:41])[Cl:42])=[O:43]>>[NH:8]1[CH2:9][CH:10]([N:21]([CH3:22])[CH2:23][c:24]2[cH:25][c:26]([F:34])[c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[CH:11]([c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-452b9d5740574277a5f8eb2fa2f69e05
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)