Bicarbonate Ion → 2-cyano-2-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrimidin-4-yl}-N,N-dimethyl-acetamide

HRID 146254Notes

Reaction equation

HRID 146254 reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:57][C:58]#[N:59].[Cl:37][c:38]1[cH:39][c:40]([CH:44]([C:45](=[O:46])[N:47]([CH3:48])[CH3:49])[C:50]#[N:51])[n:41][cH:42][n:43]1.[Na+:56]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:38]4[cH:39][c:40]([CH:44]([C:45](=[O:46])[N:47]([CH3:48])[CH3:49])[C:50]#[N:51])[n:41][cH:42][n:43]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 866239462-(6-Chloro-pyrimidin-4-yl)-2-cyano-N,N-dimethyl-acetamide

Product 1

HCID 598249952-cyano-2-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrimidin-4-yl}-N,N-dimethyl-acetamide

Sources & evidence

ORD record
ord-5bdde6ec84f1464eab2e922bfb36305d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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