Ethanol → 2-{[4-(Dimethylaminomethyl)piperidin-1-yl]carbonylamino}-4-(4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyridine
Reaction equation
[C:41]12([CH2:42][S:43]([OH:44])(=[O:45])=[O:46])[C:47]([CH3:48])([CH3:49])[CH:50]([CH2:51][CH2:52]1)[CH2:53][C:54]2=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][OH:65].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:11]=[C:12]=[S:13])[cH:6][cH:7]1.[NH2:14][c:15]1[cH:16][cH:17][c:18]([O:19][c:20]2[cH:21][c:22]([NH:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][CH:32]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:33][CH2:34]3)[n:23][cH:24][cH:25]2)[cH:39][cH:40]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][C:12](=[S:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([O:19][c:20]3[cH:21][c:22]([NH:26][C:27](=[O:28])[N:29]4[CH2:30][CH2:31][CH:32]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:33][CH2:34]4)[n:23][cH:24][cH:25]3)[cH:39][cH:40]2)[cH:6][cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-77e97b7fba7542449e9e5a191aaa5db7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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