Sodium ion → HCID 66727357, compound

HRID 113720Notes

Reaction equation

HRID 113720 reaction equation
[C:50]([OH:51])([CH3:52])([CH3:53])[CH3:54].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][cH:7][cH:8][c:9]([CH:11]([CH2:12][CH:13]=[O:14])[NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:20]([cH:21][n:22][cH:23]2)[n:24](-[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:25][cH:26]3)[cH:10]1.[CH3:34][C:35](=[CH:36][CH3:37])[CH3:38].[Cl+:39]([O-:40])[O-:41].[Na+:42].[Na+:49].[OH2:43].[OH2:55].[P:44]([O-:45])([OH:46])([OH:47])=[O:48]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][cH:7][cH:8][c:9]([CH:11]([CH2:12][C:13](=[O:14])[OH:40])[NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:20]([cH:21][n:22][cH:23]2)[n:24](-[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:25][cH:26]3)[cH:10]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962Water2×HCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 72244627HCID 72244627, compound

Product 1

HCID 66727357HCID 66727357, compound

Sources & evidence

ORD record
ord-3f5e919c0711458d8041584abb2c1eeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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