Bicarbonate Ion → 5-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]nicotinic acid ethyl ester

HRID 2313418Notes

Reaction equation

HRID 2313418 reaction equation
[CH2:37]([CH3:38])[O:39][C:40]([c:41]1[cH:42][n:43][cH:44][c:45]([Br:47])[cH:46]1)=[O:48].[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.[CH3:54][C:55]#[N:56].[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[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:45]4[cH:44][n:43][cH:42][c:41]([C:40]([O:39][CH2:37][CH3:38])=[O:48])[cH:46]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 140785Ethyl 5-bromopyridine-3-carboxylateHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 596999005-[3-(2-Methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]nicotinic acid ethyl ester

Sources & evidence

ORD record
ord-8686b75342f44f40b26719bbdf7d4a37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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