Benzenepropanoic acid → HCID 72813486, compound
Reaction equation
[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH3:32].[Cl:63][CH2:64][Cl:65].[NH2:33][c:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][n:40]([CH2:43][CH2:44][CH:45]([CH2:46][O:47][Si:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[CH3:54])[n:55]3[cH:56][n:57][c:58]([C:60](=[O:61])[NH2:62])[cH:59]3)[c:41]2[cH:42]1.[OH:12][n:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[n:20][n:21]1.[OH:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]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][c:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][n:40]([CH2:43][CH2:44][CH:45]([CH2:46][O:47][Si:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[CH3:54])[n:55]3[cH:56][n:57][c:58]([C:60](=[O:61])[NH2:62])[cH:59]3)[c:41]2[cH:42]1Participants
6
Sources & evidence
- ORD record
- ord-e8d07531f1084b408a09f2851f69994a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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