Potassium Cation → 4-chloro-N-[1-[[2-[(6-chloro-3-pyridinyl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide

HRID 2145187Notes

Reaction equation

HRID 2145187 reaction equation
[K+:40].[K+:41].[NH2:1][c:2]1[c:3](=[O:15])[c:4](=[O:14])[c:5]1[NH:6][c:7]1[cH:8][n:9][c:10]([Cl:13])[cH:11][cH:12]1.[O-:42][C:43]([O-:44])=[O:45].[n:16]1([CH:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)=[O:39])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:1]([c:2]1[c:3](=[O:15])[c:4](=[O:14])[c:5]1[NH:6][c:7]1[cH:8][n:9][c:10]([Cl:13])[cH:11][cH:12]1)[CH:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([c:32]1[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]1)=[O:39]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 183797333-Amino-4-[(6-chloro-3-pyridinyl)amino]cyclobut-3-ene-1,2-dioneHCID 18770523n-(1-(1h-1,2,3-Benzotriazol-1-yl)-2,2-dimethylpropyl)-4-chlorobenzamide

Product 1

HCID 102256394-chloro-N-[1-[[2-[(6-chloro-3-pyridinyl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide

Sources & evidence

ORD record
ord-ef850de3f9364cd2b29631f9eb7df3fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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