Potassium Cation → 7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-methyl-1,3,4,10a-tetrahydro-2H,9H-2,4-a,5,9-tetraaza-phenanthren-10-one

HRID 195996Notes

Reaction equation

HRID 195996 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][I:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][c:18]4[c:27]([cH:28]3)[NH:26][C:25](=[O:29])[CH:24]3[N:19]4[CH2:20][CH2:21][NH:22][CH2:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:34].[K+:35].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][n:17][c:18]4[c:27]([cH:28]3)[NH:26][C:25](=[O:29])[CH:24]3[N:19]4[CH2:20][CH2:21][N:22]([CH3:30])[CH2:23]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6328Methyl iodideHCID 19660Carbonate IonHCID 583244517-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1,3,4,10a-tetrahydro-2H,9H-2,4a,5,9-tetraaza-phenanthren-10-one

Product 1

HCID 583244617-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-methyl-1,3,4,10a-tetrahydro-2H,9H-2,4-a,5,9-tetraaza-phenanthren-10-one

Sources & evidence

ORD record
ord-d6ec19937a244516805bbc138501aa89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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