Sodium ion → HCID 178439459, compound

HRID 304637Notes

Reaction equation

HRID 304637 reaction equation
[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:27][C:28]#[N:29].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:15][N:16]1[C:17](=[O:24])[CH2:18][CH:19]([CH2:21][CH2:22][CH3:23])[CH2:20]1)[c:9]([C:11]([F:12])([F:13])[F:14])[n:10]2.[Na+:26].[OH-:25].[OH2:30]>>[c:2]1([OH:25])[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH2:15][N:16]1[C:17](=[O:24])[CH2:18][CH:19]([CH2:21][CH2:22][CH3:23])[CH2:20]1)[c:9]([C:11]([F:12])([F:13])[F:14])[n:10]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 8058HexaneHCID 8857Ethyl AcetateHCID 15952659HCID 15952659, compound

Product 1

HCID 178439459HCID 178439459, compound

Sources & evidence

ORD record
ord-f74d55fa0c23403a93973a8fc4c9f60d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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