Potassium Cation → 4-Chloro-N-{1-[(3,4-dioxo-2-{[5-(trifluoromethyl)pyridin-3-yl]amino}-1-cyclobuten-1-yl)amino]-2,2-dimethyl-3-phenylpropyl}benzamide

HRID 697733Notes

Reaction equation

HRID 697733 reaction equation
[K+:49].[K+:50].[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-:51][C:52]([O-:53])=[O:54].[n:19]1([CH:28]([C:29]([CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([CH3:37])[CH3:38])[NH:39][C:40]([c:41]2[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]2)=[O:48])[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]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([CH3:37])[CH3:38])[NH:39][C:40]([c:41]1[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]1)=[O:48]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 183796773-Amino4-(5-trifluoromethyl-3-pyridinylamino)cyclobut-3-ene-1,2-dioneHCID 18770575N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethyl-3-phenylpropyl]-4-chlorobenzamide

Product 1

HCID 101441854-Chloro-N-{1-[(3,4-dioxo-2-{[5-(trifluoromethyl)pyridin-3-yl]amino}-1-cyclobuten-1-yl)amino]-2,2-dimethyl-3-phenylpropyl}benzamide

Sources & evidence

ORD record
ord-16c10a315d0b47ea9ff46310304ad491
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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