Sodium ion → HCID 178440927, compound

HRID 1121886Notes

Reaction equation

HRID 1121886 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[CH:14]2[CH2:15][c:16]3[cH:17][c:18]([O:24][c:25]4[cH:26][c:27](-[c:31]5[nH:32][cH:33][c:34]([CH:36]=[O:37])[n:35]5)[n:28][cH:29][cH:30]4)[cH:19][cH:20][c:21]3[CH2:22][CH2:23]2)[cH:8][cH:9][cH:10]1.[C:56]([OH:57])([CH3:58])([CH3:59])[CH3:60].[CH3:48][C:49](=[CH:50][CH3:51])[CH3:52].[CH3:53][C:54]#[N:55].[Cl+:38]([O-:39])[O-:40].[Na+:41].[Na+:42].[OH2:61].[OH:43][P:44](=[O:45])([O-:46])[OH:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[CH:14]2[CH2:15][c:16]3[cH:17][c:18]([O:24][c:25]4[cH:26][c:27](-[c:31]5[nH:32][cH:33][c:34]([C:36](=[O:37])[OH:39])[n:35]5)[n:28][cH:29][cH:30]4)[cH:19][cH:20][c:21]3[CH2:22][CH2:23]2)[cH:8][cH:9][cH:10]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 178440925HCID 178440925, compound

Product 1

HCID 178440927HCID 178440927, compound

Sources & evidence

ORD record
ord-9bc73b5499f34e359685684cd462e7bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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