Benzenepropanoic acid → HCID 135899280, compound
Reaction equation
[CH3:12][CH2:13][N:14]=[C:15]=[N:16][CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22].[NH2:33][CH2:34][c:35]1[nH:36][c:37](=[O:45])[c:38]2[c:39]([n:40]1)[n:41][cH:42][cH:43][cH:44]2.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[OH:23][n:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[n:31][n:32]1>>[C:2](=[O:3])([CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:33][CH2:34][c:35]1[nH:36][c:37](=[O:45])[c:38]2[c:39]([n:40]1)[n:41][cH:42][cH:43][cH:44]2Participants
6
Sources & evidence
- ORD record
- ord-bf455d91376a4ea6a737cade63ed6ecf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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