Toluene → 3-hydroxy-10,13-dimethyl-17-(2-propan-2-ylsulfanylacetyl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Reaction equation
[Br:6][CH2:7][C:8]([CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH2:15][CH:16]4[CH2:17][CH:18]([OH:29])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[C:24](=[O:28])[CH2:25][C:26]12[CH3:27])=[O:30].[CH3:1][CH:2]([CH3:3])[SH:4].[CH3:31][CH:32]([OH:33])[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na:5]>>[CH3:1][CH:2]([CH3:3])[S:4][CH2:7][C:8]([CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH2:15][CH:16]4[CH2:17][CH:18]([OH:29])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[C:24](=[O:28])[CH2:25][C:26]12[CH3:27])=[O:30]Participants
6
Sources & evidence
- ORD record
- ord-d20f2b10d22b41afb53fb3fe13d428f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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