Sodium ion → Rac-Efavirenz

HRID 211917Notes

Reaction equation

HRID 211917 reaction equation
[CH3:48][O:49][C:50]([CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[cH:3][c:4]([C:22]([C:23]([F:24])([F:25])[F:26])([C:27]#[C:28][CH:29]2[CH2:30][CH2:31]2)[OH:32])[c:5]([NH:8][C:9](=[O:10])[C:11]23[C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH2:17][CH2:18]2)[C:19](=[O:20])[O:21]3)[cH:6][cH:7]1.[Cl:35][C:36]([O:37][c:38]1[cH:39][cH:40][c:41]([N+:42]([O-:43])=[O:44])[cH:45][cH:46]1)=[O:47].[Na+:34].[OH-:33]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[NH:8][C:9](=[O:10])[O:32][C:22]2([C:23]([F:24])([F:25])[F:26])[C:27]#[C:28][CH:29]1[CH2:30][CH2:31]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 15413tert-Butyl methyl etherHCID 821294-Nitrophenyl chloroformateHCID 178421235HCID 178421235, compound

Product 1

HCID 3203Rac-Efavirenz

Sources & evidence

ORD record
ord-823b4c094fa6488cbdae872c2ede6a55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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