Beta-Alanine → N-{1-[2,3-dichloro-4-(2-methylenebutyryl)phenoxy]cyclobutane-1-carbonyl}3-aminopropionic acid
Reaction equation
[Cl:1][c:2]1[c:3]([Cl:4])[c:5]([C:6](=[O:7])[C:8](=[CH2:9])[CH2:10][CH3:11])[cH:12][cH:13][c:14]1[O:15][CH2:16][C:17]([OH:18])=[O:19].[Cl:20][c:21]1[c:22]([O:23][C:24]2([C:28](=[O:29])[OH:30])[CH2:25][CH2:26][CH2:27]2)[cH:31][cH:32][c:33]([C:36]([C:37]([CH2:38][CH3:39])=[CH2:40])=[O:41])[c:34]1[Cl:35].[NH2:42][CH2:43][C:44](=[O:45])[OH:46].[NH2:47][CH2:48][CH2:49][C:50](=[O:51])[OH:52]>>[Cl:20][c:21]1[c:22]([O:23][C:24]2([C:28](=[O:29])[NH:47][CH2:48][CH2:49][C:50](=[O:51])[OH:52])[CH2:25][CH2:26][CH2:27]2)[cH:31][cH:32][c:33]([C:36]([C:37]([CH2:38][CH3:39])=[CH2:40])=[O:41])[c:34]1[Cl:35]Participants
5
Sources & evidence
- ORD record
- ord-231b840d50e445e38686a66674d0ef71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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