Potassium Cation → Rac-Efavirenz

HRID 2142152Notes

Reaction equation

HRID 2142152 reaction equation
[C:45]([O:46][CH3:47])([CH3:48])([CH3:49])[CH3:50].[C:7]([O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]#[C:15][CH:16]1[CH2:17][CH2:18]1)[c:19]1[c:20]([NH:26][C:27](=[O:28])[C:34]23[C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH2:40][CH2:41]2)[C:42](=[O:43])[O:44]3)[cH:21][cH:22][c:23]([Cl:25])[cH:24]1)(=[O:29])[O:30][CH:31]([Cl:32])[CH3:33].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[OH2:51]>>[O:8]1[C:9]([C:10]([F:11])([F:12])[F:13])([C:14]#[C:15][CH:16]2[CH2:17][CH2:18]2)[c:19]2[c:20]([cH:21][cH:22][c:23]([Cl:25])[cH:24]2)[NH:26][C:27]1=[O:28]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 178456135HCID 178456135, compound

Product 1

HCID 3203Rac-Efavirenz

Sources & evidence

ORD record
ord-2f7732102fb2462e966c8d355a5e9edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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