Ethanol → 3-Hydroxyflubromazepam

HRID 163251Notes

Reaction equation

HRID 163251 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:27]1)[C:7]([c:20]1[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]1)=[N:8][CH:9]([O:13][C:14](=[O:15])[C:16]([F:17])([F:18])[F:19])[C:10](=[O:12])[NH:11]2.[C:28](=[O:29])([OH:30])[O-:31].[CH3:33][CH2:34][OH:35].[Na+:32]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:27]1)[C:7]([c:20]1[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]1)=[N:8][CH:9]([OH:13])[C:10](=[O:12])[NH:11]2

Participants

5

Reactant 4

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 20295645HCID 20295645, compound

Product 1

HCID 131260123-Hydroxyflubromazepam

Sources & evidence

ORD record
ord-011f3821bf234dc7b3f1edf2a51f4101
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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