Bicarbonate Ion → Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

HRID 136116Notes

Reaction equation

HRID 136116 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:24])[c:8]2[c:9]([n:10][cH:11]1)[n:12]([CH2:15][c:16]1[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]1)[cH:13][cH:14]2.[CH3:42][O:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[Na+:29].[O-:25][C:26]([OH:27])=[O:28].[S:37](=[O:38])(=[O:39])([OH:40])[OH:41]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:24])[c:8]2[c:9]([n:10][cH:11]1)[nH:12][cH:13][cH:14]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1118Sulfuric AcidHCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 578991914-chloro-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester

Product 1

HCID 53438275Ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Sources & evidence

ORD record
ord-3dacf3f2ed994ecaa57e80011ea13ecb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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