Toluene → 2-{[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenylcarbamoyl]methyl}oct-4-enoic acid
Reaction equation
[CH2:21]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[CH:27]1[C:28](=[O:33])[O:29][C:30](=[O:32])[CH2:31]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[n:7][nH:8][c:9](=[O:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:17][cH:18][c:19]1[F:20]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][c:6]2[n:7][nH:8][c:9](=[O:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:17][cH:18][c:19]1[F:20])[C:30]([CH2:31][CH:27]([CH2:21][CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[C:28](=[O:29])[OH:33])=[O:32]Participants
4
Sources & evidence
- ORD record
- ord-8b44b7e2bc124c42b17472002484cd15
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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