Sodium ion → 3-(Cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-5-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)benzamide

HRID 144161Notes

Reaction equation

HRID 144161 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]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].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[Cl:51][CH2:52][Cl:53].[Na+:49].[Na+:50].[O:29]1[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][n:37]2[n:38][cH:39][c:40]([B:42]([OH:43])[OH:44])[cH:41]2)[CH2:33][CH2:34]1>>[c:2]1(-[c:40]2[cH:39][n:38][n:37]([CH2:36][CH2:35][N:32]3[CH2:31][CH2:30][O:29][CH2:34][CH2:33]3)[cH:41]2)[cH:3][c:4]([N:22]([CH3:23])[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]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 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 57877042(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)boronic acidHCID 665757625-bromo-3-(cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methylbenzamide

Product 1

HCID 708727463-(Cyclopentyl(methyl)amino)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-5-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)benzamide

Sources & evidence

ORD record
ord-e740747bddfc4a8b987097e2f3ce3f26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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