Sodium ion → Methyl 2-methyl-2-((2-(1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)butanoate

HRID 306871Notes

Reaction equation

HRID 306871 reaction equation
[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:29][c:30]1[n:31][cH:32][cH:33][c:34]([NH:36][C:37]([C:38](=[O:39])[O:40][CH3:41])([CH2:42][CH3:43])[CH3:44])[n:35]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[c:1]1([CH3:28])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6]1>>[c:1]1([CH3:28])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12](-[c:30]3[n:31][cH:32][cH:33][c:34]([NH:36][C:37]([C:38](=[O:39])[O:40][CH3:41])([CH2:42][CH3:43])[CH3:44])[n:35]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 497589593-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 86682097Methyl 2-((2-chloropyrimidin-4-yl)amino)-2-methylbutanoate

Product 1

HCID 71187500Methyl 2-methyl-2-((2-(1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)butanoate

Sources & evidence

ORD record
ord-a605a412ddd34396af1dc97404644b4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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