Hydrochloric Acid → (+/-)-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxy-N-(quinuclidin-3-yl)benzamide

HRID 309654

Reaktionsgleichung

Reaktionsgleichung von HRID 309654
[B-:43]([F:44])([F:45])([F:46])[F:47].[CH:1]1([N:6]2[c:7]3[c:8]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[n:21]3)[N:9]([CH3:17])[C:10](=[O:16])[C:11]3([CH2:12][CH2:13][CH2:14]3)[CH2:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:65].[ClH:66].[NH2:67][CH:68]1[CH2:69][N:70]2[CH2:71][CH2:72][CH:73]1[CH2:74][CH2:75]2.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:29])[NH:67][CH:68]5[CH2:69][N:70]6[CH2:71][CH2:72][CH:73]5[CH2:74][CH2:75]6)[cH:30][cH:31]4)[n:21]3)[N:9]([CH3:17])[C:10](=[O:16])[C:11]3([CH2:12][CH2:13][CH2:14]3)[CH2:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Komponenten

8

Edukt 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 1232383-AminoquinuclidineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 579698754-(9'-Cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxybenzoic acid

Produkt 1

HCID 58154031(+/-)-4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxy-N-(quinuclidin-3-yl)benzamide

Quellen und Nachweise

ORD-Eintrag
ord-5f4de7e61e4f4e82836ffeafb03b6c4f
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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