Sodium ion → HCID 70872645, compound

HRID 2147160Notes

Reaction equation

HRID 2147160 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:31][N:32]([CH3:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[Na+:48].[Na+:49].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50]>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH2:34][N:32]([CH3:31])[CH3:33])[cH:40][cH:39]2)[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 22506610{4-[(Dimethylamino)methyl]phenyl}boronic acidHCID 665767905-Bromo-N-((1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzamide

Product 1

HCID 70872645HCID 70872645, compound

Sources & evidence

ORD record
ord-7dace713df564b579d32c5814f3e289f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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