Acetic Acid → 2-(6-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid

HRID 112749

Reaction equation

HRID 112749 reaction equation
[CH3:28][N:29]([CH3:30])[CH:32]=[O:31].[CH3:40][C:41](=[O:42])[OH:43].[F:1][CH:2]1[CH2:3][CH:4]2[CH:5]3[CH2:6][CH:7]([CH3:27])[CH:8]([C:9]([CH:10]=[O:11])=[O:12])[C:13]3([CH3:26])[CH2:14][CH:15]([OH:25])[CH:16]2[C:17]2([CH3:24])[CH:18]=[CH:19][C:20](=[O:23])[CH:21]=[C:22]12.[F:33][CH2:34][CH2:35][OH:36].[K:37][C:38]#[N:39]>>[F:1][CH:2]1[CH2:3][CH:4]2[CH:5]3[CH2:6][CH:7]([CH3:27])[CH:8]([C:9]([C:10](=[O:11])[OH:31])=[O:12])[C:13]3([CH3:26])[CH2:14][CH:15]([OH:25])[CH:16]2[C:17]2([CH3:24])[CH:18]=[CH:19][C:20](=[O:23])[CH:21]=[C:22]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6228DimethylformamideHCID 97372-FluoroethanolHCID 214108432-(6-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetaldehydeHCID 178511842HCID 178511842, compound

Product 1

HCID 219599832-(6-Fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid

Sources & evidence

ORD record
ord-27c8da0bba644221a446d1ce7a6a2f16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…