Sodium ion → HCID 57527218, compound

HRID 154467Notes

Reaction equation

HRID 154467 reaction equation
[CH2:1]([CH3:2])[S:3][c:4]1[c:5]([N+:22]([O-:23])=[O:24])[cH:6][cH:7][c:8]([CH:10]([C:11]#[N:12])[C:13](=[O:14])[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[n:9]1.[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[Na+:26].[OH-:25]>>[CH2:1]([CH3:2])[S:3][c:4]1[c:5]([NH2:22])[cH:6][cH:7][c:8]([CH:10]([C:11]#[N:12])[C:13](=[O:14])[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[n:9]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 57527211HCID 57527211, compound

Product 1

HCID 57527218HCID 57527218, compound

Sources & evidence

ORD record
ord-5e0b08b9bcb1472e8bae3bcde2c508a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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