Formaldehyde → 2-methyl-4-[4-methyl-3-(phenoxymethyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine
Reaktionsgleichung
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:1]=[O:2].[Cl:32][CH:33]([Cl:34])[CH3:35].[Na+:59].[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:10][CH:11]1[CH2:12][N:13]([C:17]2=[N:18][c:19]3[c:20]([cH:28][cH:29][cH:30][cH:31]3)[NH:21][c:22]3[s:23][c:24]([CH3:27])[cH:25][c:26]32)[CH2:14][CH2:15][NH:16]1.[OH:36][CH:37]([CH3:38])[CH2:39][CH:40]1[CH2:41][NH:42][CH2:43][CH2:44][NH:45]1>>[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:10][CH:11]1[CH2:12][N:13]([C:17]2=[N:18][c:19]3[c:20]([cH:28][cH:29][cH:30][cH:31]3)[NH:21][c:22]3[s:23][c:24]([CH3:27])[cH:25][c:26]32)[CH2:14][CH2:15][N:16]1[CH3:33]Komponenten
7
Edukt 6
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-11416af2a1f1440aa76962d8c60f3e2b
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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