Hydrochloric Acid → 3-[2-[4-[[2-methyl-5-oxo-4-(2-propan-2-yloxyiminopropyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

HRID 299812Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 299812
[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([CH3:35])=[O:36])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:37]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[ClH:38].[ClH:50].[NH2:39][O:40][CH:41]([CH3:42])[CH3:43].[OH2:51].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([CH3:35])=[N:39][O:40][CH:41]([CH3:42])[CH3:43])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:37]1

Komponenten

7

Edukt 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 2768923Hydroxylamine, O-(1-methylethyl)-HCID 1360636782-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-4-(2-oxopropyl)-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Produkt 1

HCID 1366567493-[2-[4-[[2-methyl-5-oxo-4-(2-propan-2-yloxyiminopropyl)-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

Quellen und Nachweise

ORD-Eintrag
ord-ac763a2b5ee346f2a6593cc93a97761f
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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