Sodium ion → HCID 19046971, compound

HRID 2322592Notes

Reaction equation

HRID 2322592 reaction equation
[CH2:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[CH:33]([CH2:34][OH:35])[CH2:36][OH:37].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[F:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:14][cH:15]2)[cH:5][cH:6][c:7]1[CH:8]=[O:9].[Na+:49].[Na+:50].[O-:51][S:52](=[O:53])(=[O:54])[O-:55].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[F:1][c:2]1[n:3][c:4](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:14][cH:15]2)[cH:5][cH:6][c:7]1[CH:8]1[O:9][CH2:36][CH:33]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])[CH2:34][O:35]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 1117Sulfate IonHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8471TriethylamineHCID 3160622-Octylpropane-1,3-diolHCID 19046983HCID 19046983, compound

Product 1

HCID 19046971HCID 19046971, compound

Sources & evidence

ORD record
ord-76dc69896cca49908e76e83fa8141c60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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