Trifluoroacetic acid → 4-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-N-((trans)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-3-methoxybenzamide

HRID 155620

Reaktionsgleichung

Reaktionsgleichung von HRID 155620
[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:8][C:9]1([CH2:10][CH2:11]1)[C:12](=[O:15])[N:13]2[CH3:14].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[NH2:22][c:23]1[c:24]([O:48][CH3:49])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][CH:33]([N:36]3[CH2:37][CH2:38][N:39]([CH2:42][CH:43]4[CH2:44][CH2:45]4)[CH2:40][CH2:41]3)[CH2:34][CH2:35]2)[cH:46][cH:47]1>>[c:2]1([NH:22][c:23]2[c:24]([O:48][CH3:49])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]3[CH2:31][CH2:32][CH:33]([N:36]4[CH2:37][CH2:38][N:39]([CH2:42][CH:43]5[CH2:44][CH2:45]5)[CH2:40][CH2:41]4)[CH2:34][CH2:35]3)[cH:46][cH:47]2)[n:3][cH:4][c:5]2[c:6]([n:21]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:8][C:9]1([CH2:10][CH2:11]1)[C:12](=[O:15])[N:13]2[CH3:14]

Komponenten

4

Edukt 3

HCID 6422Trifluoroacetic acidHCID 115019224-amino-N-(trans-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-3-methoxybenzamideHCID 579699392-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-one

Produkt 1

HCID 252102814-(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-N-((trans)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-3-methoxybenzamide

Quellen und Nachweise

ORD-Eintrag
ord-f72a32e830a2410189955beb533505ff
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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