Acetic Acid → 3-[4-[3-[Butylcarbamoyl(methyl)amino]phenyl]phenyl]-2-ethoxyprop-2-enoic acid
Reaction equation
[CH2:3]([CH2:4][CH2:5][CH3:6])[NH:7][C:8]([N:9]([CH3:10])[c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH:23]=[C:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[O:30][CH2:31][CH3:32])[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1)=[O:33].[CH3:34][C:35](=[O:36])[OH:37].[Li+:1].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:2]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[NH:7][C:8]([N:9]([CH3:10])[c:11]1[cH:12][c:13](-[c:17]2[cH:18][cH:19][c:20]([CH:23]=[C:24]([C:25](=[O:26])[OH:27])[O:30][CH2:31][CH3:32])[cH:21][cH:22]2)[cH:14][cH:15][cH:16]1)=[O:33]Participants
6
Sources & evidence
- ORD record
- ord-19ed5fec53ea4cda8ba0c5b3d9605c74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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