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

HRID 2346742
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HRID 2346742 반응식
[C:39](=[O:40])([O-:41])[O-:42].[Cl:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12.[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51].[K+:43].[K+:44].[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:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[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][cH:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]23)[CH2:5][CH2:6]1
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반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 6422Trifluoroacetic acid2회HCID 68451-ChloromethylnaphthaleneHCID 19660Carbonate IonHCID 121095363-Piperazin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

생성물 1

HCID 10150793
3-(4-Naphthalen-1-ylmethyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine

출처 및 근거

ORD 기록
ord-64ebcff0d07f4e68a219773be67bc5ea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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