Hydrochloric Acid → HCID 21105753, compound

HRID 296308Notes

Reaction equation

HRID 296308 reaction equation
[C:51]([OH:52])([CH3:53])([CH3:54])[CH3:55].[CH3:29][C:30](=[CH:31][CH3:32])[CH3:33].[Cl+:34]([O-:35])[O-:36].[ClH:44].[N+:1](=[O:2])([O-:3])[c:4]1[c:5](-[c:10]2[n:11][n:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([CH:19]=[O:20])[cH:21][cH:22]3)[o:14]2)[cH:6][cH:7][cH:8][cH:9]1.[Na+:28].[Na+:37].[Na+:42].[Na+:43].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:45].[P:23](=[O:24])([O-:25])([OH:26])[OH:27].[S:38]([O-:39])([O-:40])=[O:41]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5](-[c:10]2[n:11][n:12][c:13](-[c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:24])[cH:21][cH:22]3)[o:14]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ion4×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1099SulfiteHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 21105752HCID 21105752, compound

Product 1

HCID 21105753HCID 21105753, compound

Sources & evidence

ORD record
ord-0b72262b240a45048a514a780dfe8ffc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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