Hexafluorophosphate → N-(2-{[6-{[2-(Acetylamino)ethyl]amino}-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino}ethyl)isoquinoline-3-carboxamide

HRID 161182

Reaktionsgleichung

Reaktionsgleichung von HRID 161182
[CH3:72][N:73]1[CH2:74][CH2:75][CH2:76][C:77]1=[O:78].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[NH2:47][CH2:48][CH2:49][NH:50][c:51]1[c:52]([CH3:71])[c:53]([NH:64][CH2:65][CH2:66][NH:67][C:68]([CH3:69])=[O:70])[n:54][c:55](-[c:57]2[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]2)[n:56]1.[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[cH:1]1[n:2][c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[cH:1]1[n:2][c:3]([C:11](=[O:13])[NH:47][CH2:48][CH2:49][NH:50][c:51]2[c:52]([CH3:71])[c:53]([NH:64][CH2:65][CH2:66][NH:67][C:68]([CH3:69])=[O:70])[n:54][c:55](-[c:57]3[cH:58][cH:59][c:60]([Cl:63])[cH:61][cH:62]3)[n:56]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Komponenten

7

Edukt 6

HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 124656Isoquinoline-3-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22379264N-{2-[6-(2-Aminoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-ylamino]-ethyl}acetamide

Produkt 1

HCID 22379232N-(2-{[6-{[2-(Acetylamino)ethyl]amino}-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino}ethyl)isoquinoline-3-carboxamide

Quellen und Nachweise

ORD-Eintrag
ord-469c3fac99a14ac2a705c3ec6c0a51bf
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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