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

HRID 2140663Notes

Reaction equation

HRID 2140663 reaction equation
[K+:41].[K+:42].[NH2:1][c:2]1[c:3](=[O:15])[c:4](=[O:14])[c:5]1[NH:6][c:7]1[c:8]([Cl:13])[n:9][cH:10][cH:11][cH:12]1.[O-:43][C:44]([O-:45])=[O:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[n:16]1([CH:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([CH2:32][CH2:33][c:34]2[cH:35][n:36][cH:37][cH:38][cH:39]2)=[O:40])[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[c:8]([Cl:13])[n:9][cH:10][cH:11][cH:12]1)[CH:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[NH:30][C:31]([CH2:32][CH2:33][c:34]1[cH:35][n:36][cH:37][cH:38][cH:39]1)=[O:40]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 18379746N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethylpropyl]-3-(3-pyridinyl)propanamideHCID 183797593-Amino-4-[(2-chloro-3-pyridinyl)amino]cyclobut-3-ene-1,2-dione

Product 1

HCID 10181842N-[1-[[2-[(2-chloro-3-pyridinyl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]-3-pyridin-3-ylpropanamide

Sources & evidence

ORD record
ord-cd4955491dd74c9f82a89b9ce0006ca9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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