Bicarbonate Ion → 4-(9-butyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide

HRID 170315

Reaktionsgleichung

Reaktionsgleichung von HRID 170315
[C:72](=[O:73])([OH:74])[O-:75].[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[c:6]2[c:7]([cH:14][n:15][c:16]([NH:18][c:19]3[c:20]([O:28][CH3:29])[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[n:17]2)[N:8]([CH3:13])[C:9](=[O:12])[CH2:10][CH2:11]1.[CH2:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH:59]([CH3:60])[CH3:61])[CH3:62].[CH3:37][N:38]([C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]1[c:44]2[c:45]([n:46][cH:47][cH:48][cH:49]2)[N+:50]([O-:51])=[N:52]1)[CH3:53].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[NH2:63][CH:64]1[CH2:65][CH2:66][N:67]([CH3:70])[CH2:68][CH2:69]1.[Na+:76].[OH2:71].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[c:6]2[c:7]([cH:14][n:15][c:16]([NH:18][c:19]3[c:20]([O:28][CH3:29])[cH:21][c:22]([C:23](=[O:25])[NH:63][CH:64]4[CH2:65][CH2:66][N:67]([CH3:70])[CH2:68][CH2:69]4)[cH:26][cH:27]3)[n:17]2)[N:8]([CH3:13])[C:9](=[O:12])[CH2:10][CH2:11]1

Komponenten

10

Edukt 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375314-Amino-1-methylpiperidineHCID 687386064-(9-butyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acidHCID 178484291HCID 178484291, Verbindung

Produkt 1

HCID 250155374-(9-butyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide

Quellen und Nachweise

ORD-Eintrag
ord-88ed84663f2c4c49a76d9af1233bc84a
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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