Sodium ion → HCID 70872560, compound

HRID 1235434Notes

Reaction equation

HRID 1235434 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[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:45](=[O:46])([O-:47])[O-:48].[CH3:30][n:31]1[n:32][cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1.[Na+:49].[Na+:50].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:51]>>[c:2]1(-[c:34]2[cH:33][n:32][n:31]([CH3:30])[cH:35]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[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 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 665757645-bromo-3-(cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 70872560HCID 70872560, compound

Sources & evidence

ORD record
ord-74f627c2ce664814a4add537ecb56550
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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