Hydrochloric Acid → [4-(2-Chloro-pyridin-3-yl)-5-fluoro-pyrimidin-2-yl]-methyl-amine

HRID 1227609Notes

Reaction equation

HRID 1227609 reaction equation
[CH3:17][NH2:18].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH3:39][S:40]([CH3:41])=[O:42].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:15])[c:6](-[c:8]2[c:9]([Cl:14])[n:10][cH:11][cH:12][cH:13]2)[n:7]1.[ClH:16].[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31].[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[OH2:38]>>[c:2]1([NH:18][CH3:17])[n:3][cH:4][c:5]([F:15])[c:6](-[c:8]2[c:9]([Cl:14])[n:10][cH:11][cH:12][cH:13]2)[n:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 6329MethylamineHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 772302032-Chloro-4-(2-chloro-pyridin-3-yl)-5-fluoro-pyrimidine

Product 1

HCID 86602592[4-(2-Chloro-pyridin-3-yl)-5-fluoro-pyrimidin-2-yl]-methyl-amine

Sources & evidence

ORD record
ord-15e968dd5eba434299b9e25ea91a440b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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