Dichloromethane → 2-[4-Bromo-2-methoxycarbonyl-5-[3-[methylcarbamoyl-(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]thiophen-3-yl]oxyacetic acid
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH3:30])[CH:31]3[CH2:32][C:33]([CH3:39])([CH3:40])[CH2:34][C:35]([CH3:37])([CH3:38])[CH2:36]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH3:30])[CH:31]3[CH2:32][C:33]([CH3:39])([CH3:40])[CH2:34][C:35]([CH3:37])([CH3:38])[CH2:36]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[OH:14]Participants
4
Sources & evidence
- ORD record
- ord-ba89fcb591c54fc5abc5be9d72a6e847
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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