Ethanol → 4-({Cyclohexyl[5-(cyclohexylcarbonyl)-2-ethylthiophen-3-yl]methyl}amino)benzoic acid
Reaction equation
[CH3:41][CH2:42][OH:43].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:21][CH3:22])[s:10][c:11]([C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:12]2)[NH:23][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:40].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:39]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:21][CH3:22])[s:10][c:11]([C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:12]2)[NH:23][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-2042533ebbf44926a9d1a06d5315d6f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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