Bicarbonate Ion → hydroxy-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyridin-2-yl}-acetic acid methyl ester

HRID 313526Notes

Reaction equation

HRID 313526 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH3:14][O:15][c:16]1[c:17](-[c:22]2[cH:23][n:24]([S:40](=[O:41])(=[O:42])[c:43]3[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]3)[c:25]3[n:26][cH:27][c:28]([B:31]4[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]4)[cH:29][c:30]23)[cH:18][cH:19][cH:20][cH:21]1.[CH3:1][O:2][C:3]([CH:4]([OH:5])[c:6]1[n:7][c:8]([Br:12])[cH:9][cH:10][cH:11]1)=[O:13].[Na+:54].[OH2:55]>>[CH3:1][O:2][C:3]([CH:4]([OH:5])[c:6]1[n:7][c:8](-[c:28]2[cH:27][n:26][c:25]3[n:24]([S:40](=[O:41])(=[O:42])[c:43]4[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]4)[cH:23][c:22](-[c:17]4[c:16]([O:15][CH3:14])[cH:21][cH:20][cH:19][cH:18]4)[c:30]3[cH:29]2)[cH:9][cH:10][cH:11]1)=[O:13]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 59825086Methyl 2-(6-bromopyridin-2-yl)-2-hydroxyacetate

Product 1

HCID 59825111hydroxy-{6-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyridin-2-yl}-acetic acid methyl ester

Sources & evidence

ORD record
ord-9129f32fe6a7412fa499cc014531b02e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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