Water → 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide

HRID 1209554

Reaktionsgleichung

Reaktionsgleichung von HRID 1209554
[CH2:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:31])[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]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:41][CH:42]1[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]1.[OH2:54]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:31])[cH:24][c:25]([C:26](=[O:27])[NH:41][CH:42]5[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Komponenten

6

Edukt 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 27375314-Amino-1-methylpiperidineHCID 580150834-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-fluoro-benzoic acid

Produkt 1

HCID 252533734-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide

Quellen und Nachweise

ORD-Eintrag
ord-806da0627b5a429f9242936920c3f4a0
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Verknüpfte Notizen

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