Ethanol → 4-[1-(4-Cyclohexylphenyl)-3-(4-trifluoromethylsulfanylphenyl)ureidomethyl]benzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[NH:23][C:24](=[O:25])[NH:26][c:27]2[cH:28][cH:29][c:30]([S:33][C:34]([F:35])([F:36])[F:37])[cH:31][cH:32]2)[cH:8][cH:9]1)=[O:38].[CH3:41][CH2:42][OH:43].[Na+:40].[OH-:39]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([c:11]2[cH:12][cH:13][c:14]([CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:15][cH:16]2)[NH:23][C:24](=[O:25])[NH:26][c:27]2[cH:28][cH:29][c:30]([S:33][C:34]([F:35])([F:36])[F:37])[cH:31][cH:32]2)[cH:8][cH:9]1)[OH:38]Participants
5
Sources & evidence
- ORD record
- ord-bdaa9443b99d4529978ec8eba0163b2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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