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

HRID 677786

Reaktionsgleichung

Reaktionsgleichung von HRID 677786
[CH2:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[CH3:39].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:1][C:2]1([F:30])[C:3](=[O:29])[N:4]([CH3:28])[c:5]2[c:6]([n:12][c:13]([NH:16][c:17]3[c:18]([O:26][CH3:27])[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[n:14][cH:15]2)[N:7]([CH:9]([CH3:10])[CH3:11])[CH2:8]1.[O:40]1[CH2:41][CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1.[OH2:52]>>[F:1][C:2]1([F:30])[C:3](=[O:29])[N:4]([CH3:28])[c:5]2[c:6]([n:12][c:13]([NH:16][c:17]3[c:18]([O:26][CH3:27])[cH:19][c:20]([C:21](=[O:22])[NH:46][CH:43]4[CH2:42][CH2:41][O:40][CH2:45][CH2:44]4)[cH:24][cH:25]3)[n:14][cH:15]2)[N:7]([CH:9]([CH3:10])[CH3:11])[CH2:8]1

Komponenten

6

Edukt 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 4192234-AminotetrahydropyranHCID 445467354-(7,7-difluoro-9-isopropyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid

Produkt 1

HCID 445468924-(7,7-difluoro-9-isopropyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(tetrahydro-pyran-4-yl)-benzamide

Quellen und Nachweise

ORD-Eintrag
ord-01896c071ea2410aa548f8364ab8e13b
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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