Sodium ion → HCID 53781901, compound

HRID 691393Notes

Reaction equation

HRID 691393 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][S:40]([O:41][S:42]([CH3:43])(=[O:44])=[O:45])(=[O:46])=[O:47].[F:49][C:50]([F:51])([F:52])[CH2:53][OH:54].[F:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17]([CH2:30][OH:31])[n:18][c:19]([CH:21]3[CH2:22][CH2:23][N:24]([CH2:27][C:28]#[N:29])[CH2:25][CH2:26]3)[o:20]2)[cH:14][cH:15]1.[H-:1].[Na+:2].[Na:48].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH:3][CH2:4][C:5]([F:6])([F:7])[F:8]>>[O:3]([CH2:4][C:5]([F:6])([F:7])[F:8])[CH2:30][c:17]1[c:16](-[c:13]2[cH:12][cH:11][c:10]([F:9])[cH:15][cH:14]2)[o:20][c:19]([CH:21]2[CH2:22][CH2:23][N:24]([CH2:27][C:28]#[N:29])[CH2:25][CH2:26]2)[n:18]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 64092,2,2-Trifluoroethanol2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 81560Methanesulfonic anhydrideHCID 166653HydrideHCID 5360545SodiumHCID 54490302HCID 54490302, compound

Product 1

HCID 53781901HCID 53781901, compound

Sources & evidence

ORD record
ord-ac22554a38784eb2a2d8b30562216651
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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