Sodium ion → HCID 70872406, compound

HRID 1127962Notes

Reaction equation

HRID 1127962 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:46](=[O:47])([O-:48])[O-:49].[Na+:50].[Na+:51].[O:30]1[CH2:31][CH2:32][N:33]([CH2:36][c:37]2[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]2)[CH2:34][CH2:35]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:52].[OH2:59]>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([CH2:36][N:33]3[CH2:32][CH2:31][O:30][CH2:35][CH2:34]3)[cH:42][cH:41]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 962Water2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 10998582{4-[(Morpholin-4-yl)methyl]phenyl}boronic acidHCID 665757645-bromo-3-(cyclohexyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 70872406HCID 70872406, compound

Sources & evidence

ORD record
ord-6edbc1c2675d4e089edf4337d798400f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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