Sodium ion → HCID 54741096, compound

HRID 2128602Notes

Reaction equation

HRID 2128602 reaction equation
[C:67](=[O:68])([O-:69])[O-:70].[Cl:32][c:33]1[n:34][cH:35][c:36]2[c:37]([OH:38])[c:39]([C:40]([NH:41][CH2:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])=[O:50])[c:51](=[O:52])[n:53]([CH3:54])[c:55]2[n:56]1.[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]3[c:12]([n:13]2)[n:14]([CH3:31])[c:15](=[O:30])[c:16]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:17]3[OH:18])[cH:5][cH:6][cH:7]1.[F:57][c:58]1[cH:59][c:60]([B:61]([OH:62])[OH:63])[cH:64][cH:65][cH:66]1.[Na+:71].[Na+:72].[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[OH2:79]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]3[c:12]([n:13]2)[n:14]([CH3:31])[c:15](=[O:30])[c:16]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[OH:25])[c:17]3[OH:18])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27339863-Fluorophenylboronic acidHCID 57657530HCID 57657530, compoundHCID 86629413HCID 86629413, compound

Product 1

HCID 54741096HCID 54741096, compound

Sources & evidence

ORD record
ord-67596c56287444b0877d816e25a879e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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