Water → 2-{2-[1-Ethyl-3-(4-trifluoromethoxyphenyl)ureido]indan-5-ylsulfanyl}-2-methylpropionic acid
Reaction equation
[C:44]([O:45][CH:46]([CH3:47])[CH3:48])(=[O:49])[CH3:50].[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([O:13][C:14]([F:15])([F:16])[F:17])[cH:11][cH:12]1)[CH:18]1[CH2:19][c:20]2[cH:21][cH:22][c:23]([S:27][C:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])([CH3:36])[CH3:37])[cH:24][c:25]2[CH2:26]1.[OH2:43].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([O:13][C:14]([F:15])([F:16])[F:17])[cH:11][cH:12]1)[CH:18]1[CH2:19][c:20]2[cH:21][cH:22][c:23]([S:27][C:28]([C:29](=[O:30])[OH:31])([CH3:36])[CH3:37])[cH:24][c:25]2[CH2:26]1Participants
5
Sources & evidence
- ORD record
- ord-396c8b7b11384a06b5c92a7352980057
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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