Potassium Cation → 3,5-dichloro-N-[1-[[3,4-dioxo-2-[[5-(trifluoromethyl)pyridin-3-yl]amino]cyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide

HRID 173883Notes

Reaction equation

HRID 173883 reaction equation
[K+:44].[K+:45].[NH2:1][c:2]1[c:3](=[O:18])[c:4](=[O:17])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1.[O-:46][C:47]([O-:48])=[O:49].[n:19]1([CH:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][C:34]([c:35]2[cH:36][c:37]([Cl:42])[cH:38][c:39]([Cl:41])[cH:40]2)=[O:43])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[NH:1]([c:2]1[c:3](=[O:18])[c:4](=[O:17])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1)[CH:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][C:34]([c:35]1[cH:36][c:37]([Cl:42])[cH:38][c:39]([Cl:41])[cH:40]1)=[O:43]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 183796773-Amino4-(5-trifluoromethyl-3-pyridinylamino)cyclobut-3-ene-1,2-dioneHCID 18379714N-(1-(1H-1,2,3-Benzotriazol-1-yl)-2,2-dimethylpropyl)-3,5-dichlorobenzamide

Product 1

HCID 102295453,5-dichloro-N-[1-[[3,4-dioxo-2-[[5-(trifluoromethyl)pyridin-3-yl]amino]cyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide

Sources & evidence

ORD record
ord-8cf5d4363488483faa2188a13b359c2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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