Carbon Tetrachloride → 7-(5-chloropentyl)-11-fluoro-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Reaction equation
[C:28]([Cl:29])([Cl:30])([Cl:31])[Cl:32].[CH3:52][C:53]#[N:54].[F:1][CH:2]1[CH:3]2[CH:4]3[CH2:5][CH2:6][C:7](=[O:27])[CH:8]=[C:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][OH:26])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1.[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[F:1][CH:2]1[CH:3]2[CH:4]3[CH2:5][CH2:6][C:7](=[O:27])[CH:8]=[C:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][Cl:29])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1Participants
5
Sources & evidence
- ORD record
- ord-e6ec462138c64975a53850600edc8f34
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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