Ethanol → 4-{[Cyclohexyl(3-methyl-5-nitro-1-benzofuran-2-yl)methyl]amino}benzoic acid
Reaction equation
[CH3:39][CH2:40][OH:41].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:38].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:37]>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:30][cH:31]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-e28cd5c152c545a488ba69261e1b1c46
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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