Bicarbonate Ion → 1-Boc-3-(3-nitro-5-trifluoromethyl-phenoxymethyl)-azetidine

HRID 200446Notes

Reaction equation

HRID 200446 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH:10]([CH2:12][O:13][S:14]([CH3:15])(=[O:16])=[O:17])[CH2:11]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[K+:32].[K+:33].[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][c:23]([OH:31])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[Na+:47].[O-:34][C:35]([O-:36])=[O:37].[O-:43][C:44]([OH:45])=[O:46].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH:10]([CH2:12][O:13][c:23]2[cH:22][c:21]([N+:18](=[O:19])[O-:20])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]2)[CH2:11]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27562513-Hydroxy-5-nitrobenzotrifluorideHCID 21959416Tert-butyl 3-((methanesulfonyloxy)methyl)azetidine-1-carboxylate

Product 1

HCID 222494081-Boc-3-(3-nitro-5-trifluoromethyl-phenoxymethyl)-azetidine

Sources & evidence

ORD record
ord-6e86740167b44fac9491fe41cf27fdec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…