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

HRID 152866Notes

Reaction equation

HRID 152866 reaction equation
[CH3:36][OH:37].[F:19][c:20]1[c:21]([NH:29][S:30](=[O:31])(=[O:32])[CH2:33][CH2:34][CH3:35])[cH:22][cH:23][c:24]([F:28])[c:25]1[CH:26]=[O:27].[K+:18].[OH-:17].[c:1]1([NH:7][c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[nH:14][cH:15][cH:16]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[nH:14][cH:15][c:16]3[CH:26]([c:25]2[c:20]([F:19])[c:21]([NH:29][S:30](=[O:31])(=[O:32])[CH2:33][CH2:34][CH3:35])[cH:22][cH:23][c:24]2[F:28])[OH:27])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 53419003N-(2,4-Difluoro-3-formylphenyl)-1-propanesulfonamideHCID 57595745n-Phenyl-1h-pyrrolo[2,3-b]pyridin-5-amine

Product 1

HCID 58086341propane-1-sulfonic acid {2,4-difluoro-3-[hydroxy-(5-phenylamino-1H-pyrrolo[2,3-b]-pyridin-3-yl)-methyl]-phenyl}-amide

Sources & evidence

ORD record
ord-61598a59f1c04e17aad35fe0136702ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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