Dimethylformamide → 4-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

HRID 95779

Reaktionsgleichung

Reaktionsgleichung von HRID 95779
[CH3:50][N:51]([C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[N+:63]([O-:64])=[N:65]1)[CH3:66].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([CH3:13])([CH3:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:67][CH:68]1[CH2:69][CH2:70][N:71]([CH3:74])[CH2:72][CH2:73]1.[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:67][CH:68]5[CH2:69][CH2:70][N:71]([CH3:74])[CH2:72][CH2:73]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([CH3:13])([CH3:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Komponenten

7

Edukt 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 27375314-Amino-1-methylpiperidineHCID 426107874-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 178484288HCID 178484288, Verbindung

Produkt 1

HCID 250154654-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Quellen und Nachweise

ORD-Eintrag
ord-f0815a9b9b284508af44235801722d76
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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