Sodium Ion → 3-ethyl-3,4-dihydro-7-nitro-4-(2,2,2-trifluoroethyl)-2H-1,4-benzoxazine

Reaction equation

[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[F:1][c:2]1[c:3]([N:4]([CH:5]([CH2:6][OH:7])[CH2:8][CH3:9])[CH2:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]1.[H-:23].[Na+:22]>>[c:2]12[c:3]([cH:15][cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]1)[N:4]([CH2:10][C:11]([F:12])([F:13])[F:14])[CH:5]([CH2:8][CH3:9])[CH2:6][O:7]2

Participants

Reactant 4

HCID 923Sodium Ion

HCID 8028Tetrahydrofuran

HCID 166653Hydride

HCID 178454530HCID 178454530, compound

Product 1

HCID 184161343-ethyl-3,4-dihydro-7-nitro-4-(2,2,2-trifluoroethyl)-2H-1,4-benzoxazine

Sources & evidence

ORD record: ord-3c61e86934fd4476aa1ad25c2672fe59
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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