Hydrochloric Acid → 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-methoxy-N-[1-(2,2,2-trifluoro-ethyl)-piperidin-4-yl]-benzamide
Reaktionsgleichung
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[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]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:54].[F:42][C:43]([CH2:44][N:45]1[CH2:46][CH2:47][CH:48]([NH2:51])[CH2:49][CH2:50]1)([F:52])[F:53].[OH2:60]>>[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])[NH:51][CH:48]5[CH2:47][CH2:46][N:45]([CH2:44][C:43]([F:42])([F:52])[F:53])[CH2:50][CH2:49]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]1Komponenten
7
Edukt 6
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-f36459fc9dcb4dcb9a83b6f64d585d34
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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