Benzoic Acid → HCID 58824182, compound
Reaction equation
[CH3:11][N:12]([CH3:13])[CH2:14][CH2:15][CH2:16][N:17]=[C:18]=[N:19][CH2:20][CH3:21].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[ClH:10].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:22]1(-[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:23][cH:24][c:25]([O:28][CH2:29][c:30]2[cH:31][c:32]([S:36](=[O:37])(=[O:38])[NH2:39])[o:33][c:34]2[CH3:35])[cH:26][cH:27]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:39][S:36]([c:32]1[cH:31][c:30]([CH2:29][O:28][c:25]2[cH:24][cH:23][c:22](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:27][cH:26]2)[c:34]([CH3:35])[o:33]1)(=[O:37])=[O:38]Participants
8
Sources & evidence
- ORD record
- ord-243ccbfa1ad5438fb91736b883732a38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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