Chloride → 13-methyl-11-[4-[2-[methyl-[3-[[4-(trifluoromethyl)phenyl]methylsulfinyl]propyl]amino]ethyl]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]3[c:13]4[cH:14][cH:15][c:16]([OH:30])[cH:17][c:18]4[CH2:19][CH2:20][CH:21]3[CH:22]3[CH2:23][CH2:24][CH:25]([OH:29])[C:26]3([CH3:27])[CH2:28]2)[cH:9][cH:10]1)[CH2:31][CH2:32][CH2:33][S:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]1.[CH3:54][OH:55].[Cl-:53].[I+3:46]([O-:47])([O-:48])([O-:49])[O-:50].[Na+:51].[Na+:52].[OH2:56]>>[CH3:1][N:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH:12]3[c:13]4[cH:14][cH:15][c:16]([OH:30])[cH:17][c:18]4[CH2:19][CH2:20][CH:21]3[CH:22]3[CH2:23][CH2:24][CH:25]([OH:29])[C:26]3([CH3:27])[CH2:28]2)[cH:9][cH:10]1)[CH2:31][CH2:32][CH2:33][S:34]([CH2:35][c:36]1[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]1)=[O:47]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-783a212e108d47a29a7f31c23b7249ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…