3-(3-Fluoro-4-methoxybenzoyl)propionic acid → {2-[3-[4-(3-Fluoro-4-methoxy-phenyl)-4-hydroxy-butyl]-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
Reaction equation
[CH2:48]([O:49][C:50](=[O:51])[CH2:52][S:53][c:54]1[s:55][c:56]([NH2:57])[n:58][cH:59]1)[CH3:60].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]2[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:5][cH:6][cH:7]1.[F:32][c:33]1[cH:34][c:35]([C:41]([CH2:42][CH2:43][C:44]([OH:45])=[O:46])=[O:47])[cH:36][cH:37][c:38]1[O:39][CH3:40]>>[CH2:8]([CH2:9][CH2:10][N:11]([C:12]([NH:13][c:14]1[s:15][c:16]([S:19][CH2:20][C:21](=[O:22])[OH:23])[cH:17][n:18]1)=[O:24])[CH:25]1[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]1)[CH:41]([c:35]1[cH:34][c:33]([F:32])[c:38]([O:39][CH3:40])[cH:37][cH:36]1)[OH:47]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-26943d486e03437f8cbb8ab268cb1526
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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