Sodium ion → HCID 71086792, compound

HRID 163137Notes

Reaction equation

HRID 163137 reaction equation
[CH3:46][C:47]#[N:48].[Cl:8][c:9]1[cH:10][c:11]([CH:30]2[O:31][CH2:32][CH2:33][N:34]([C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:35]2)[cH:12][cH:13][c:14]1[NH:15][C:16](=[O:17])[c:18]1[cH:19][n:20][n:21](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:22]1.[Na+:44].[OH-:43].[OH2:45].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[cH:10][c:11]([CH:30]2[O:31][CH2:32][CH2:33][NH:34][CH2:35]2)[cH:12][cH:13][c:14]1[NH:15][C:16](=[O:17])[c:18]1[cH:19][n:20][n:21](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:22]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 86674685HCID 86674685, compound

Product 1

HCID 71086792HCID 71086792, compound

Sources & evidence

ORD record
ord-ccdee01936d24a458201fb4805da9e58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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