Chloride → 9-(4-Methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl amide
Reaction equation
[CH2:26]([CH2:27][CH2:28][CH3:29])[NH-:30].[CH3:2][O:3][c:4]1[c:5]([CH3:25])[c:6]([CH3:24])[c:7]([CH:11]=[CH:12][C:13](=[CH:14][CH:15]=[CH:16][C:17](=[CH:18][C:19](=[O:20])[OH:21])[CH3:22])[CH3:23])[c:8]([CH3:10])[cH:9]1.[Cl-:1]>>[CH3:2][O:3][c:4]1[c:5]([CH3:25])[c:6]([CH3:24])[c:7]([CH:11]=[CH:12][C:13](=[CH:14][CH:15]=[CH:16][C:17](=[CH:18][C:19](=[O:21])[NH:30][CH2:26][CH2:27][CH2:28][CH3:29])[CH3:22])[CH3:23])[c:8]([CH3:10])[cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-149d85ef0c454bf3967abf551d7a2bdd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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