Dimethylformamide → 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-(4-methylpiperazin-1-yl)benzamide

HRID 200961

Reaktionsgleichung

Reaktionsgleichung von HRID 200961
[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].[NH2:65][N:66]1[CH2:67][CH2:68][N:69]([CH3:72])[CH2:70][CH2:71]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[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:28])[NH:65][N:66]5[CH2:67][CH2:68][N:69]([CH3:72])[CH2:70][CH2:71]5)[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

7

Edukt 6

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 813491-Amino-4-methylpiperazineHCID 81531DiisopropylethylamineHCID 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 426385554-(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-(4-methylpiperazin-1-yl)benzamide

Quellen und Nachweise

ORD-Eintrag
ord-1cc0679753a041b3b79c7cffbd896351
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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