1,4-Dioxane → 2-(2-Chloro-5-fluoro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclopentylmethyl-amide

HRID 1120410Notes

Reaction equation

HRID 1120410 reaction equation
[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([C:17]([F:18])([F:19])[F:20])[n:12][c:13]([Cl:16])[n:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:21][c:22]1[c:23]([NH2:24])[cH:25][c:26]([F:29])[cH:27][cH:28]1.[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([C:17]([F:18])([F:19])[F:20])[n:12][c:13]([NH:24][c:23]3[c:22]([Cl:21])[cH:28][cH:27][c:26]([F:29])[cH:25]3)[n:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 27365092-Chloro-5-fluoroanilineHCID 579826072-Chloro trifluoromethyl-pyrimidin-5-carboxylic acid (cyclopentylmethyl)-amide

Product 1

HCID 579826602-(2-Chloro-5-fluoro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid cyclopentylmethyl-amide

Sources & evidence

ORD record
ord-eee5fd8c3519403b8cfdc9405df82835
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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