Ethanol → 4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide
Reaction equation
[C:31]12([CH2:32][S:33]([OH:34])(=[O:35])=[O:36])[C:37]([CH3:38])([CH3:39])[CH:40]([CH2:41][CH2:42]1)[CH2:43][C:44]2=[O:45].[CH3:59][CH2:60][OH:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[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.[NH2:1][c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:28][cH:29]1>>[NH:1]([c:2]1[cH:3][c:4]([F:30])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:28][cH:29]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
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d8e55b37d90446c6aa84af040375c964
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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