Chloride → 2-methyl-propane-1-sulfonic acid {3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxy-methyl]-2,4-difluoro-phenyl}-amide

HRID 687199Notes

Reaction equation

HRID 687199 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][cH:10]2.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][OH:40].[Cl-:32].[F:11][c:12]1[c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]([F:20])[c:17]1[CH:18]=[O:19].[K+:30].[Na+:31].[OH-:29]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:18]([c:17]1[c:12]([F:11])[c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:14][cH:15][c:16]1[F:20])[OH:19]

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 103079325-bromo-1H-pyrrolo[2,3-b]pyridineHCID 583169302-Methyl-propane-1-sulfonic acid (2,4-difluoro-3-formyl-phenyl)-amide

Product 1

HCID 595695972-methyl-propane-1-sulfonic acid {3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxy-methyl]-2,4-difluoro-phenyl}-amide

Sources & evidence

ORD record
ord-6115e8d0223e4936a440bc6cb92f4060
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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