2-(4-(4-Aminobutyl)piperazin-1-yl)ethan-1-ol → 5-(3-{4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-butyl}-ureido)-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide
Reaktionsgleichung
[NH2:31][CH2:32][CH2:33][CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][N:39]([CH2:42][CH2:43][OH:44])[CH2:40][CH2:41]1.[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:31][CH2:32][CH2:33][CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][N:39]([CH2:42][CH2:43][OH:44])[CH2:40][CH2:41]1Komponenten
3
Edukt 2
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-2d63700343a246f79e0efc78ae30e8bb
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)