Hydrochloric Acid → N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

HRID 1237573Notes

Reaction equation

HRID 1237573 reaction equation
[Cl:20][c:21]1[n:22][c:23]([NH2:31])[n:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[ClH:32].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][cH:15]2)[nH:16][cH:17][c:18]3[CH3:19])[cH:4][cH:5][c:6]([NH2:8])[cH:7]1.[Na+:34].[OH-:33].[OH2:35]>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][cH:15]2)[nH:16][cH:17][c:18]3[CH3:19])[cH:4][cH:5][c:6]([NH:8][c:21]2[n:22][c:23]([NH2:31])[n:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amineHCID 593050112-Fluoro-N1-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

Product 1

HCID 59304983N4-{3-Fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-293185cbd0aa431497416282b37f7783
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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