Potassium Cation → 2-(3,5-Dimethylphenyl)-1H-isoindole-1,3(2H)-dione

HRID 2333552Notes

Reaction equation

HRID 2333552 reaction equation
[CH3:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH:18]1([NH2:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH:24]1[NH2:25].[Cu:47][I:48].[I:38][c:39]1[cH:40][c:41]([CH3:46])[cH:42][c:43]([CH3:45])[cH:44]1.[K+:12].[K+:13].[O-:14][C:15]([O-:16])=[O:17].[O:1]=[C:2]1[NH:3][C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[O:1]=[C:2]1[N:3]([c:39]2[cH:40][c:41]([CH3:46])[cH:42][c:43]([CH3:45])[cH:44]2)[C:4](=[O:5])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 46101,2-DiaminocyclohexaneHCID 6809PhthalimideHCID 8182DodecaneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 1409241-Iodo-3,5-dimethylbenzene

Product 1

HCID 6937342-(3,5-Dimethylphenyl)-1H-isoindole-1,3(2H)-dione

Sources & evidence

ORD record
ord-fd9bf7b9c15443d8879df65d31f229bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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