Sodium ion → HCID 178519549, compound

HRID 174774Notes

Reaction equation

HRID 174774 reaction equation
[CH3:39][C:40]#[N:41].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[I:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:42].[nH:25]1[n:26][cH:27][c:28]([B:30]([OH:31])[OH:32])[cH:29]1>>[c:2]1(-[c:28]2[cH:27][nH:26][n:25][cH:29]2)[n:3][nH:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([C:17](=[O:18])[N:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[cH:14][cH:15][cH:16]3)[cH:9][c:10]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 177502781H-Pyrazole-4-boronic acidHCID 178519550HCID 178519550, compound

Product 1

HCID 178519549HCID 178519549, compound

Sources & evidence

ORD record
ord-90f5f7e8103a42948afe9856752e4f86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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