Ethanol → 4-[3-(Dimethylamino)azetidin-1-yl]piperidine-1-carboxylic acid [4-(4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyridin-2-yl]amide
Reaction equation
[C:1]12([CH2:2][S:3]([OH:4])(=[O:5])=[O:6])[C:7]([CH3:8])([CH3:9])[CH:10]([CH2:11][CH2:12]1)[CH2:13][C:14]2=[O:15].[CH3:59][CH2:60][OH:61].[F:46][c:47]1[cH:48][cH:49][c:50]([CH2:53][C:54](=[O:55])[N:56]=[C:57]=[S:58])[cH:51][cH:52]1.[NH2:16][c:17]1[cH:18][cH:19][c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[N:31]3[CH2:32][CH2:33][CH:34]([N:37]4[CH2:38][CH:39]([N:41]([CH3:42])[CH3:43])[CH2:40]4)[CH2:35][CH2:36]3)[n:25][cH:26][cH:27]2)[cH:44][cH:45]1>>[NH:16]([c:17]1[cH:18][cH:19][c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29](=[O:30])[N:31]3[CH2:32][CH2:33][CH:34]([N:37]4[CH2:38][CH:39]([N:41]([CH3:42])[CH3:43])[CH2:40]4)[CH2:35][CH2:36]3)[n:25][cH:26][cH:27]2)[cH:44][cH:45]1)[C:57]([NH:56][C:54]([CH2:53][c:50]1[cH:49][cH:48][c:47]([F:46])[cH:52][cH:51]1)=[O:55])=[S:58]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-75394d949a9b41baa2a7a38edc2af054
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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