Ethanol → 4-(Pyrrolidin-1-yl)piperidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide
Reaction equation
[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:54][CH2:55][OH:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[F:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][C:38](=[O:39])[N:40]=[C:41]=[S:42])[cH:35][cH:36]1.[NH2:1][c:2]1[cH:3][c:4]([F:29])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([N:22]4[CH2:23][CH2:24][CH2:25][CH2:26]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:27][cH:28]1.[Na+:49].[OH:50][C:51](=[O:52])[O-:53]>>[NH:1]([c:2]1[cH:3][c:4]([F:29])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([N:22]4[CH2:23][CH2:24][CH2:25][CH2:26]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:27][cH:28]1)[C:41]([NH:40][C:38]([CH2:37][c:34]1[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]1)=[O:39])=[S:42]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-02decfc73a6f47b588fa2b7e139d3769
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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