Sodium ion → HCID 19102806, compound

HRID 320655Notes

Reaction equation

HRID 320655 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH2:35])(=[O:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:40][N:41]([S:42](=[O:43])(=[O:44])[Cl:45])[CH3:46].[H-:38].[Na+:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][S:42]([N:41]([CH3:40])[CH3:46])(=[O:43])=[O:44])(=[O:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 83372Dimethylsulphamoyl chlorideHCID 166653HydrideHCID 103469025-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 19102806HCID 19102806, compound

Sources & evidence

ORD record
ord-9a1f263fcb1d445da951f2354e964f9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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