Ethanol → 1-[1-(2-Dimethylaminoethyl)piperidin-4-yl]-3-[6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]-1-methylurea
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].[CH3:60][CH2:61][OH:62].[F:47][c:48]1[cH:49][cH:50][c:51]([CH2:54][C:55](=[O:56])[N:57]=[C:58]=[S:59])[cH:52][cH:53]1.[NH2:16][c:17]1[cH:18][c:19]([F:46])[c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29]([N:30]([CH3:31])[CH:32]3[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH2:36][CH2:37]3)=[O:43])[n:25][cH:26][n:27]2)[cH:44][cH:45]1>>[NH:16]([c:17]1[cH:18][c:19]([F:46])[c:20]([O:21][c:22]2[cH:23][c:24]([NH:28][C:29]([N:30]([CH3:31])[CH:32]3[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])[CH2:36][CH2:37]3)=[O:43])[n:25][cH:26][n:27]2)[cH:44][cH:45]1)[C:58]([NH:57][C:55]([CH2:54][c:51]1[cH:50][cH:49][c:48]([F:47])[cH:53][cH:52]1)=[O:56])=[S:59]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-51b055131b264c7e83934bf0343d7332
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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