Sodium ion → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-ethylsulfanylbutan-2-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

HRID 141806

반응식

HRID 141806 반응식
[CH2:38]([CH3:39])[S-:40].[CH2:9]([CH:10]=[CH2:11])[C:12]1([CH3:37])[C:13]2=[N+:14]([CH:15]([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[CH:16]([c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]3)[CH2:17]1)[CH:32]([CH2:35][CH3:36])[CH2:33][O:34]2.[F:1][C:2]([F:3])([F:4])[S:5]([O-:6])(=[O:7])=[O:8].[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH2:9]([CH:10]=[CH2:11])[C:12]1([CH3:37])[C:13](=[O:34])[N:14]([CH:32]([CH2:33][S:40][CH2:38][CH3:39])[CH2:35][CH3:36])[CH:15]([c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[CH:16]([c:18]2[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[CH2:17]1

참가 물질

6

출처 및 근거

ORD 기록
ord-cfe8c490826b4fbc8027672fdbc439bf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…