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

HRID 180004

Reaction equation

HRID 180004 reaction equation
[K+:44].[K+:45].[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-:46][C:47]([O-:48])=[O:49].[n:15]1([CH:24]([C:25]([CH2:26][CH2:27][C:28]#[N:29])([CH2:30][CH3:31])[CH2:32][CH3:33])[NH:34][C:35]([c:36]2[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]2)=[O:43])[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][CH2:27][C:28]#[N:29])([CH2:30][CH3:31])[CH2:32][CH3:33])[NH:34][C:35]([c:36]1[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]1)=[O:43]

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 106314913-Amino-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dioneHCID 18770751N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-diethyl-4-cyanobutyl]-4-chlorobenzamide

Product 1

HCID 102276314-chloro-N-[4-cyano-1-[[3,4-dioxo-2-(pyridin-3-ylamino)cyclobuten-1-yl]amino]-2,2-diethylbutyl]benzamide

Sources & evidence

ORD record
ord-b2f2879364814cd6a2ed2991f67bbeb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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