Sodium ion → Ncx-701

HRID 149329Notes

Reaction equation

HRID 149329 reaction equation
[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[H-:1].[N+:14](=[O:15])([O-:16])[O:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[Cl:23].[NH:3]([C:4](=[O:5])[CH3:6])[c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1.[Na+:2]>>[NH:3]([C:4](=[O:5])[CH3:6])[c:7]1[cH:8][cH:9][c:10]([O:13][C:21]([CH2:20][CH2:19][CH2:18][O:17][N+:14](=[O:15])[O-:16])=[O:22])[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1983AcetaminophenHCID 8028TetrahydrofuranHCID 166653HydrideHCID 136544364-Chloro-4-oxobutyl nitrate

Product 1

HCID 6918532Ncx-701

Sources & evidence

ORD record
ord-60b06c1a5c214bc2b0537eb414b2743c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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