Sodium ion → HCID 54749376, compound

HRID 160376Notes

Reaction equation

HRID 160376 reaction equation
[Br:31][c:32]1[s:33][c:34]2[c:35]([OH:36])[c:37]([C:38]([NH:39][CH2:40][C:41]([O:42][CH2:43][CH3:44])=[O:45])=[O:46])[c:47](=[O:48])[n:49]([CH3:50])[c:51]2[cH:52]1.[C:70](=[O:71])([O-:72])[O-:73].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11]([CH3:30])[c:12](=[O:29])[c:13]([C:18](=[O:19])[NH:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:14]([OH:17])[c:15]3[s:16]2)[cH:6][cH:7]1.[Na+:74].[Na+:75].[OH2:63].[OH:53][B:54]([c:55]1[cH:56][cH:57][c:58]([F:59])[cH:60][cH:61]1)[OH:62]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[n:11]([CH3:30])[c:12](=[O:29])[c:13]([C:18](=[O:19])[NH:20][CH2:21][C:22](=[O:23])[OH:24])[c:14]([OH:17])[c:15]3[s:16]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2856454-Fluorophenylboronic acidHCID 67429520HCID 67429520, compoundHCID 86631545HCID 86631545, compound

Product 1

HCID 54749376HCID 54749376, compound

Sources & evidence

ORD record
ord-afec7aa4a5b047bdaaee1f9e3676acd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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