10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione → 6-Bromo boldione

HRID 148223

반응식

HRID 148223 반응식
[Br:22][N:23]1[C:24](=[O:25])[CH2:26][CH2:27][C:28]1=[O:29].[C:30]([O:31][O:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[C:48]([Cl:49])([Cl:50])([Cl:51])[Cl:52].[CH3:1][C:2]12[C:3](=[O:21])[CH2:4][CH2:5][CH:6]1[CH:7]1[CH2:8][CH2:9][C:10]3=[CH:11][C:12](=[O:20])[CH:13]=[CH:14][C:15]3([CH3:16])[CH:17]1[CH2:18][CH2:19]2>>[CH3:1][C:2]12[C:3](=[O:21])[CH2:4][CH2:5][CH:6]1[CH:7]1[CH2:8][CH:9]([Br:22])[C:10]3=[CH:11][C:12](=[O:20])[CH:13]=[CH:14][C:15]3([CH3:16])[CH:17]1[CH2:18][CH2:19]2

참가 물질

5

출처 및 근거

ORD 기록
ord-9de49ce36aae473a9dac43a6b8e79066
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…