Potassium Cation → HCID 68831348, compound

HRID 202135Notes

Reaction equation

HRID 202135 reaction equation
[Br:31][c:32]1[cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:17]2[CH2:18][C:19](=[O:22])[NH:20][CH2:21]2)[cH:11][cH:12][c:13]([O:15][CH3:16])[cH:14]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:40]1([NH2:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH:46]1[NH2:47].[Cu:54][I:55].[K+:28].[K+:29].[K+:30].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P:23]([O-:24])([O-:25])([O-:26])=[O:27]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:17]2[CH2:18][C:19](=[O:22])[N:20]([c:32]3[cH:33][c:34]([C:35]#[N:36])[cH:37][cH:38][cH:39]3)[CH2:21]2)[cH:11][cH:12][c:13]([O:15][CH3:16])[cH:14]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 233813-BromobenzonitrileHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 68829062HCID 68829062, compound

Product 1

HCID 68831348HCID 68831348, compound

Sources & evidence

ORD record
ord-ec7ab6d8c7f849cd87e23cfc1ff268ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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