1,4-Dioxane → 5-chloro-4-(9'-cyclohexyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(4-dimethylaminocyclohexyl)-2-fluoro-benzamide

HRID 2325597Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 2325597
[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH:51](=[CH:52][C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)=[O:62])[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:69](=[CH:70][C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)=[O:80])[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:87](=[CH:88][C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)=[O:98])[c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[N:6]2[CH3:22])[CH2:9][CH2:10]1.[NH2:23][c:24]1[cH:25][c:26]([F:43])[c:27]([C:28](=[O:29])[NH:30][CH:31]2[CH2:32][CH2:33][CH:34]([N:37]([CH3:38])[CH3:39])[CH2:35][CH2:36]2)[cH:40][c:41]1[Cl:42].[Pd+2:50]>>[c:2]1([NH:23][c:24]2[cH:25][c:26]([F:43])[c:27]([C:28](=[O:29])[NH:30][CH:31]3[CH2:32][CH2:33][CH:34]([N:37]([CH3:38])[CH3:39])[CH2:35][CH2:36]3)[cH:40][c:41]2[Cl:42])[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[N:6]2[CH3:22])[CH2:9][CH2:10]1

Komponenten

6

Edukt 5

HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 579698842'-chloro-9'-cyclohexyl-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-oneHCID 686828744-amino-5-chloro-N-(4-dimethylaminocyclohexyl)-2-fluoro-benzamide

Produkt 1

HCID 686825735-chloro-4-(9'-cyclohexyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepine]-2'-ylamino)-N-(4-dimethylaminocyclohexyl)-2-fluoro-benzamide

Quellen und Nachweise

ORD-Eintrag
ord-426caf7cd8c341e59f21331459cc9c26
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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