Benzenepropanoic acid → HCID 53730564, compound
Reaction equation
[C:20]([CH2:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)(=[O:29])[OH:30].[CH3:2][O:3][C:4]([CH2:5][N:6]1[c:7]2[c:8]([cH:15][cH:16][cH:17][cH:18]2)[NH:9][CH2:10][CH:11]([NH2:14])[C:12]1=[O:13])=[O:19].[CH3:51][N:52]([CH3:53])[CH2:54][CH2:55][CH2:56][N:57]=[C:58]=[N:59][CH2:60][CH3:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[ClH:1].[ClH:50].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:2][O:3][C:4]([CH2:5][N:6]1[c:7]2[c:8]([cH:15][cH:16][cH:17][cH:18]2)[NH:9][CH2:10][CH:11]([NH:14][C:20]([CH2:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:29])[C:12]1=[O:13])=[O:19]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-0a0de087473b4f6a8b208be942b32476
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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