Water → N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxamide

HRID 801135Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 801135
[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[NH2:14][c:15]1[c:16]([CH3:45])[c:17](-[c:21]2[n:22][c:23]([NH:29][c:30]3[cH:31][cH:32][c:33]([CH:36]4[N:37]([CH3:44])[CH2:38][CH2:39][N:40]([CH3:43])[C:41]4=[O:42])[cH:34][cH:35]3)[c:24](=[O:28])[n:25]([CH3:27])[cH:26]2)[cH:18][cH:19][cH:20]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[OH2:82].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][P+:64]([N:65]([CH3:66])[CH3:67])([N:68]([CH3:69])[CH3:70])[N:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1.[s:1]1[c:2]2[c:3]([cH:4][c:5]1[C:6](=[O:7])[OH:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH2:13]1>>[s:1]1[c:2]2[c:3]([cH:4][c:5]1[C:6](=[O:8])[NH:14][c:15]1[c:16]([CH3:45])[c:17](-[c:21]3[n:22][c:23]([NH:29][c:30]4[cH:31][cH:32][c:33]([CH:36]5[N:37]([CH3:44])[CH2:38][CH2:39][N:40]([CH3:43])[C:41]5=[O:42])[cH:34][cH:35]4)[c:24](=[O:28])[n:25]([CH3:27])[cH:26]3)[cH:18][cH:19][cH:20]1)[CH:9]1[CH2:10][CH2:11][CH:12]2[CH2:13]1

Komponenten

8

Edukt 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 576251475-(3-Amino-2-methylphenyl)-3-(4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenylamino)-1-methylpyrazin-2(1H)-oneHCID 582669813-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acid

Produkt 1

HCID 58266972N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxamide

Quellen und Nachweise

ORD-Eintrag
ord-d4234aa9f4064a859ff359b0114cb835
Quelldatensatz
Test data from https://doi.org/10.1039/C8SC04228D

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