Nitrogen → 1-[3-(2-chloroethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

HRID 166653

Reaction equation

HRID 166653 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:12][C:13]([CH:14]1[CH2:15][CH2:16][CH:17]2[CH:18]3[CH2:19][CH2:20][CH:21]4[CH2:22][C:23](=[O:33])[CH2:24][CH2:25][C:26]4([CH3:27])[CH:28]3[CH2:29][CH2:30][C:31]12[CH3:32])=[O:34].[CH3:7][CH2:8][CH2:9][CH2:10][Li:11].[Cl:1][CH:2]=[CH:3][Cl:4].[N:5]#[N:6]>>[Cl:1][C:2]#[C:3][C:23]1([OH:33])[CH2:22][CH:21]2[CH2:20][CH2:19][CH:18]3[CH:17]4[CH2:16][CH2:15][CH:14]([C:13]([CH3:12])=[O:34])[C:31]4([CH3:32])[CH2:30][CH2:29][CH:28]3[C:26]2([CH3:27])[CH2:25][CH2:24]1

Participants

6

Reactant 5

HCID 947NitrogenHCID 8028TetrahydrofuranHCID 109001,2-DichloroethyleneHCID 4406995-alpha-Pregnane-3,20-dioneHCID 178418339Butyllithium

Product 1

HCID 1784658941-[3-(2-chloroethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Sources & evidence

ORD record
ord-0e71dd35705b4818aebfab19da6b1b2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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