Sodium ion → HCID 57900754, compound

HRID 1124607Notes

Reaction equation

HRID 1124607 reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH2:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH3:3][I:4].[CH:5]12[CH:6]([c:12]3[c:13]([NH:18][C:19](=[S:20])[c:21]4[c:22]([CH:27]([F:28])[F:29])[n:23][n:24]([CH3:26])[cH:25]4)[cH:14][cH:15][cH:16][cH:17]3)[CH2:7][CH:8]([CH2:9][CH2:10]1)[CH2:11]2.[H-:1].[Na+:2].[OH2:30]>>[CH3:3][S:20][C:19](=[N:18][c:13]1[c:12]([CH:6]2[CH:5]3[CH2:10][CH2:9][CH:8]([CH2:7]2)[CH2:11]3)[cH:17][cH:16][cH:15][cH:14]1)[c:21]1[c:22]([CH:27]([F:28])[F:29])[n:23][n:24]([CH3:26])[cH:25]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8078CyclohexaneHCID 8857Ethyl AcetateHCID 166653HydrideHCID 19754686HCID 19754686, compound

Product 1

HCID 57900754HCID 57900754, compound

Sources & evidence

ORD record
ord-38bea60782484da98c07adadeb3444b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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