Potassium Cation → 4-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-2,2-dimethyl-3-phenylpropyl]benzamide

HRID 2162024Notes

Reaction equation

HRID 2162024 reaction equation
[K+:45].[K+:46].[NH2:1][c:2]1[c:3](=[O:14])[c:4](=[O:13])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1.[O-:47][C:48]([O-:49])=[O:50].[n:15]1([CH:24]([C:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([CH3:33])[CH3:34])[NH:35][C:36]([c:37]2[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]2)=[O:44])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1>>[NH:1]([c:2]1[c:3](=[O:14])[c:4](=[O:13])[c:5]1[NH:6][c:7]1[cH:8][n:9][cH:10][cH:11][cH:12]1)[CH:24]([C:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)([CH3:33])[CH3:34])[NH:35][C:36]([c:37]1[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]1)=[O:44]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 106314913-Amino-4-(pyridin-3-ylamino)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 102780114-chloro-N-[1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-2,2-dimethyl-3-phenylpropyl]benzamide

Sources & evidence

ORD record
ord-cb196f1847d44916b3f3649d090dfc78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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