Hydrochloric Acid → 4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

Reaction equation

[Cl:19][c:20]1[n:21][c:22]([NH2:30])[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[ClH:31].[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][cH:18]3)[cH:4][cH:5][c:6]([NH2:8])[cH:7]1.[Na+:33].[OH-:32].[OH2:34]>>[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][cH:18]3)[cH:4][cH:5][c:6]([NH:8][c:20]2[n:21][c:22]([NH2:30])[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:7]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 130869074-Chloro-6-(trifluoromethyl)pyrimidin-2-amine

HCID 593049882-fluoro-1-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

Product 1

Sources & evidence

ORD record: ord-b98b37a174754072be4f59331fabc65a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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