Methanol → 3-chloro-4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

HRID 161875Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 161875
[CH3:49][OH:50].[CH3:51][CH:52]([CH3:53])[CH2:54][CH:55]([OH:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]([CH3:14])[CH3:15])[CH2:9][CH2:8][C:7](=[O:16])[N:6]2[CH3:17].[NH2:18][c:19]1[c:20]([Cl:36])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][N:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[cH:34][cH:35]1.[OH2:37].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[c:2]1([NH:18][c:19]2[c:20]([Cl:36])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:34][cH:35]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]([CH3:14])[CH3:15])[CH2:9][CH2:8][C:7](=[O:16])[N:6]2[CH3:17]

Komponenten

7

Edukt 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 643181314-amino-3-chloro-N-(2-morpholin-4-ylethyl)benzamideHCID 866175432-Chloro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Produkt 1

HCID 686839563-chloro-4-[(2-methyl-3-oxo-6-propan-2-yl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

Quellen und Nachweise

ORD-Eintrag
ord-284f5c37753c417cbc2ca33c15d8b676
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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