Dichloromethane → 2-{6-[1-Ethyl-3-(4-trifluoromethoxyphenyl)ureido]-5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl}-2-methylpropionic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[cH:12][c:13]2[c:18]([cH:19][cH:20]1)[CH2:17][CH:16]([N:21]([C:22](=[O:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]1)[CH2:36][CH3:37])[CH2:15][CH2:14]2)=[O:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[O:5]=[C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[cH:12][c:13]2[c:18]([cH:19][cH:20]1)[CH2:17][CH:16]([N:21]([C:22](=[O:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]1)[CH2:36][CH3:37])[CH2:15][CH2:14]2)[OH:38]Participants
4
Sources & evidence
- ORD record
- ord-2dee2d1540734d2888a139d46c83d718
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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