Potassium Cation → 3-[{2-[2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)-4-fluorophenylamino]-1-oxopropyl}amino]propionic acid methyl ester

HRID 170981Notes

Reaction equation

HRID 170981 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([CH:8]([CH3:9])[O:10][S:11]([c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)(=[O:19])=[O:20])=[O:21])=[O:22].[CH3:23][n:24]1[c:25](=[O:44])[n:26](-[c:35]2[c:36]([F:43])[cH:37][c:38]([Cl:42])[c:39]([NH2:41])[cH:40]2)[c:27](=[O:34])[cH:28][c:29]1[C:30]([F:31])([F:32])[F:33].[CH3:51][C:52]#[N:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[K+:49].[K+:50]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([CH:8]([CH3:9])[NH:41][c:39]1[c:38]([Cl:42])[cH:37][c:36]([F:43])[c:35](-[n:26]2[c:25](=[O:44])[n:24]([CH3:23])[c:29]([C:30]([F:31])([F:32])[F:33])[cH:28][c:27]2=[O:34])[cH:40]1)=[O:21])=[O:22]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 186192573-(5-amino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedioneHCID 866574693-[2-(Toluene-4-sulfonyloxy)-propionylamino]propionic acid methyl ester

Product 1

HCID 672957193-[{2-[2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)-4-fluorophenylamino]-1-oxopropyl}amino]propionic acid methyl ester

Sources & evidence

ORD record
ord-aca383bbb7e44eed9a073f26fbd31618
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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