N,N-Diethyl-1,4-butanediamine → 5-[3-(4-Diethylamino-butyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic Acid Amide
Reaktionsgleichung
[CH2:31]([CH3:32])[N:33]([CH2:34][CH2:35][CH2:36][CH2:37][NH2:38])[CH2:39][CH3:40].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:38][CH2:37][CH2:36][CH2:35][CH2:34][N:33]([CH2:31][CH3:32])[CH2:39][CH3:40]Komponenten
3
Quellen und Nachweise
- ORD-Eintrag
- ord-86406d3f757043418869e6a6a08903c1
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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