Potassium Cation → 3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

HRID 2346450Notes

Reaction equation

HRID 2346450 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[Cl:27][CH2:28][c:29]1[cH:30][cH:31][c:32](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:33][cH:34]1.[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[K+:45].[K+:46].[N:1]1([CH2:7][c:8]2[n:9][n:10][c:11]3[c:12]([n:13]2)[c:14]([NH2:19])[n:15][c:16]([NH2:18])[n:17]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[N:1]1([CH2:7][c:8]2[n:9][n:10][c:11]3[c:12]([n:13]2)[c:14]([NH2:19])[n:15][c:16]([NH2:18])[n:17]3)[CH2:2][CH2:3][N:4]([CH2:28][c:29]2[cH:30][cH:31][c:32](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:33][cH:34]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6422Trifluoroacetic acid2×HCID 154634-Phenylbenzyl chlorideHCID 19660Carbonate IonHCID 121095363-Piperazin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

Product 1

HCID 98672053-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

Sources & evidence

ORD record
ord-d0c056a6c8244fbfb08d3bccc7de6f79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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