Sodium ion → HCID 12045064, compound

HRID 1232677Notes

Reaction equation

HRID 1232677 reaction equation
[C:46]([OH:47])([CH3:48])([CH3:49])[CH3:50].[CH3:1][C:2]([C:3](=[O:4])[O:5][c:6]1[c:7]([C:18](=[O:19])[O:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:8][cH:9][c:10]2[cH:11][cH:12][c:13]([CH:16]=[O:17])[n:14][c:15]12)([CH3:25])[CH3:26].[CH3:33][C:34](=[CH:35][CH3:36])[CH3:37].[Cl+:38]([O-:39])[O-:40].[Cl:42][CH2:43][Cl:44].[Na+:32].[Na+:41].[OH2:45].[P:27](=[O:28])([O-:29])([OH:30])[OH:31]>>[CH3:1][C:2]([C:3](=[O:4])[O:5][c:6]1[c:7]([C:18](=[O:19])[O:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:8][cH:9][c:10]2[cH:11][cH:12][c:13]([C:16](=[O:17])[OH:28])[n:14][c:15]12)([CH3:25])[CH3:26]

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 12045063HCID 12045063, compound

Product 1

HCID 12045064HCID 12045064, compound

Sources & evidence

ORD record
ord-8df4fb51c346405d8a17cf39f4636f69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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