Bicarbonate Ion → {2-hydroxy-5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-morpholin-4-yl-methanone

HRID 1139296Notes

Reaction equation

HRID 1139296 reaction equation
[Br:35][c:36]1[cH:37][cH:38][c:39]([OH:50])[c:40]([C:42](=[O:43])[N:44]2[CH2:45][CH2:46][O:47][CH2:48][CH2:49]2)[cH:41]1.[C:57](=[O:58])([OH:59])[O-:60].[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[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.[CH3:62][C:63]#[N:64].[Cl:65][CH2:66][Cl:67].[Na+:51].[Na+:52].[Na+:61].[O-:53][C:54](=[O:55])[O-:56]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15](-[c:36]4[cH:37][cH:38][c:39]([OH:50])[c:40]([C:42](=[O:43])[N:44]5[CH2:45][CH2:46][O:47][CH2:48][CH2:49]5)[cH:41]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 17471603(5-Bromo-2-hydroxy-phenyl)-morpholin-4-yl-methanoneHCID 598360923-(2-methoxy-phenyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxy-methyl)-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 68617729{2-hydroxy-5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-morpholin-4-yl-methanone

Sources & evidence

ORD record
ord-430a851d332341f690ac94d4a828f774
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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