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

HRID 199878Notes

Reaction equation

HRID 199878 reaction equation
[Cl:19][c:20]1[n:21][c:22]([NH2:27])[n:23][c:24]([Cl:26])[cH:25]1.[ClH:28].[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+:30].[OH-:29].[OH2:31]>>[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]([NH:8][c:24]2[n:23][c:22]([NH2:27])[n:21][c:20]([Cl:19])[cH:25]2)[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 655222-Amino-4,6-dichloropyrimidineHCID 593049882-fluoro-1-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

Product 1

HCID 117104376-chloro-4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)phenyl]pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-61e60d0f342a4a3292c5f79910e17433
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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