Sodium ion → HCID 70663962, compound

HRID 1153388Notes

Reaction equation

HRID 1153388 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:40][CH:41]=[O:42])[CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17]([CH2:31][c:32]3[c:33]([CH3:39])[c:34]([F:38])[cH:35][cH:36][cH:37]3)[c:18](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][n:24]23)[CH2:12][CH2:13]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:49][C:50](=[CH:51][CH3:52])[CH3:53].[CH3:63][C:64]([OH:65])([CH3:66])[CH3:67].[Cl+:59]([O-:60])[O-:61].[Na+:43].[Na+:62].[OH2:68].[OH:44][P:45](=[O:46])([O-:47])[OH:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:40][C:41](=[O:42])[OH:44])[CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17]([CH2:31][c:32]3[c:33]([CH3:39])[c:34]([F:38])[cH:35][cH:36][cH:37]3)[c:18](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][n:24]23)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 88415113HCID 88415113, compound

Product 1

HCID 70663962HCID 70663962, compound

Sources & evidence

ORD record
ord-9aa9a2f594784322a929edb64ab78fd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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