Sodium ion → HCID 178454342, compound

HRID 166314Notes

Reaction equation

HRID 166314 reaction equation
[C:46]([OH:47])([CH3:48])([CH3:49])[CH3:50].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:12][C:13]([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:27]1[nH:28][c:29]([CH:33]=[O:34])[c:30]([Br:32])[n:31]1.[CH3:35][C:36](=[CH:37][CH3:38])[CH3:39].[Cl+:1]([O-:2])[O-:3].[Na+:11].[Na+:4].[OH2:40].[OH2:5].[P:6]([O-:7])([OH:8])([OH:9])=[O:10]>>[OH:5][C:33]([c:29]1[nH:28][c:27]([N:19]([C:17]([O:16][C:13]([CH3:12])([CH3:14])[CH3:15])=[O:18])[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:31][c:30]1[Br:32])=[O:34]

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962Water2×HCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 178454341HCID 178454341, compound

Product 1

HCID 178454342HCID 178454342, compound

Sources & evidence

ORD record
ord-1f858daaff6c4549997620d82acebeaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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