Acetic Acid → propane-1-sulfonic acid {3-[5-(6-chloro-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide

HRID 1541330Notes

Reaction equation

HRID 1541330 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11](=[O:12])[c:13]1[c:14]([F:27])[c:15]([NH:20][S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][CH3:26])[cH:16][cH:17][c:18]1[F:19].[C:41](=[O:42])([O-:43])[O-:44].[CH3:38][C:39]#[N:40].[CH3:47][C:48](=[O:49])[OH:50].[Cl:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][n:34]1.[K+:45].[K+:46]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([Cl:28])[n:34][cH:33]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11](=[O:12])[c:13]1[c:14]([F:27])[c:15]([NH:20][S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][CH3:26])[cH:16][cH:17][c:18]1[F:19]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 38450342-Chloropyridine-5-boronic acidHCID 119845561-Propanesulfonamide, N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-

Product 1

HCID 49779383propane-1-sulfonic acid {3-[5-(6-chloro-pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide

Sources & evidence

ORD record
ord-03a9aecaf61d44309572a04cf0e5f016
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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