Sodium ion → {3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid

HRID 208490Notes

Reaction equation

HRID 208490 reaction equation
[Br:35][c:36]1[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[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.[CH3:57][C:58]#[N:59].[Na+:51].[Na+:52].[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][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 74653(3-Bromophenyl)acetic acidHCID 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 57975859{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid

Sources & evidence

ORD record
ord-bf00d9298ede4dedb94de606ca5653ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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