Benzenepropanoic acid → HCID 178525037, compound
Reaction equation
[CH2:16]([Cl:17])[Cl:18].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28]([CH:29]1[NH:30][CH2:31][CH2:32][CH2:33]1)=[O:34].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[ClH:19].[OH:35][C:36](=[O:37])[CH2:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][C:28]([CH:29]1[N:30]([C:36](=[O:35])[CH2:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:31][CH2:32][CH2:33]1)=[O:34]Participants
7
Sources & evidence
- ORD record
- ord-cfc743013cb24b66a875eecc1d472c89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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