Benzenepropanoic acid → HCID 18968992, compound
Reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:18][CH:19]1[C:20](=[O:37])[N:21]([CH3:36])[c:22]2[c:23]([cH:32][cH:33][cH:34][cH:35]2)[C:24]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[N:25]1.[Na+:49].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:7][C:8](=[O:9])[CH2:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[C:8](=[O:9])([CH2:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[NH:18][CH:19]1[C:20](=[O:37])[N:21]([CH3:36])[c:22]2[c:23]([cH:32][cH:33][cH:34][cH:35]2)[C:24]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)=[N:25]1Participants
9
Sources & evidence
- ORD record
- ord-262344de93ce4afea7e326e5804881f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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