Dimethyl Sulfoxide → HCID 178500118, compound

HRID 281921Notes

Reaction equation

HRID 281921 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:57][S:58](=[O:59])[CH3:60].[N:41]([O-:42])=[O:43].[NH2:6][c:7]1[c:8]([N+:33](=[O:34])[O-:35])[cH:9][cH:10][c:11](-[c:13]2[n:14][c:15]([C:26]([C:27](=[O:28])[O:29][CH3:30])([CH3:31])[CH3:32])[nH:16][c:17]2-[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:12]1.[Na+:44].[Na+:50].[OH2:51].[P:45]([O-:46])([OH:47])([OH:48])=[O:49].[S:36]([OH:37])(=[O:38])(=[O:39])[OH:40]>>[c:7]1([OH:37])[c:8]([N+:33](=[O:34])[O-:35])[cH:9][cH:10][c:11](-[c:13]2[n:14][c:15]([C:26]([C:27](=[O:28])[O:29][CH3:30])([CH3:31])[CH3:32])[nH:16][c:17]2-[c:18]2[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:12]1

Participants

10

Reactant 9

HCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1003DihydrogenphosphateHCID 1118Sulfuric AcidHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 178500116HCID 178500116, compound

Product 1

HCID 178500118HCID 178500118, compound

Sources & evidence

ORD record
ord-5d04a8e3831b457d838de96b798b5850
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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