3-hydroxy-N,N-dimethylbenzamide → 2-(3-Dimethylaminocarbonylphenoxy)-4-(ethoxycarbonylmethyl)amino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine
Reaktionsgleichung
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][c:7]([O:21][c:22]2[c:23]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]2)[c:8]([N+:18](=[O:19])[O-:20])[c:9]([NH:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:10]1.[CH3:38][N:39]([C:40](=[O:41])[c:42]1[cH:43][c:44]([OH:48])[cH:45][cH:46][cH:47]1)[CH3:49]>>[c:5]1([O:48][c:44]2[cH:43][c:42]([C:40]([N:39]([CH3:38])[CH3:49])=[O:41])[cH:47][cH:46][cH:45]2)[n:6][c:7]([O:21][c:22]2[c:23]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]2)[c:8]([N+:18](=[O:19])[O-:20])[c:9]([NH:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[n:10]1Komponenten
3
Quellen und Nachweise
- ORD-Eintrag
- ord-368e1529f1774a5ab7a60109b3ae0b75
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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