Potassium Cation → (5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-(2-fluoro-benzylamino)-pyridin-3-yl]-methanone

HRID 1535964Notes

Reaction equation

HRID 1535964 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:7]([CH2:8][c:9]1[c:10]([F:15])[cH:11][cH:12][cH:13][cH:14]1)[c:16]1[n:17][cH:18][c:19]([C:22](=[O:23])[c:24]2[cH:25][nH:26][c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][c:32]23)[cH:20][cH:21]1)([CH3:5])([CH3:6])[CH3:34].[C:42](=[O:43])([O-:44])[O-:45].[Cl:48][CH2:49][Cl:50].[K+:46].[K+:47].[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[NH:7]([CH2:8][c:9]1[c:10]([F:15])[cH:11][cH:12][cH:13][cH:14]1)[c:16]1[n:17][cH:18][c:19]([C:22](=[O:23])[c:24]2[cH:25][nH:26][c:27]3[n:28][cH:29][c:30]([Cl:33])[cH:31][c:32]23)[cH:20][cH:21]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 57619461[5-(5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-pyridin-2-yl]-(2-fluoro-benzyl)-carbamic acid tert-butyl ester

Product 1

HCID 57619173(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-(2-fluoro-benzylamino)-pyridin-3-yl]-methanone

Sources & evidence

ORD record
ord-302a1fabb8564427a4efb7bdf936fc97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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