Benzoic Acid → HCID 69308172, compound
Reaction equation
[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[ClH:39].[NH2:1][CH2:2][c:3]1[c:4]([CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:5](-[c:14]2[cH:15][n:16][cH:17][c:18]([CH3:20])[cH:19]2)[c:6]2[n:7]([n:8]1)[c:9]([CH2:12][CH3:13])[cH:10][cH:11]2.[OH:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[NH:1]([CH2:2][c:3]1[c:4]([CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[c:5](-[c:14]2[cH:15][n:16][cH:17][c:18]([CH3:20])[cH:19]2)[c:6]2[n:7]([n:8]1)[c:9]([CH2:12][CH3:13])[cH:10][cH:11]2)[C:31](=[O:30])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1Participants
6
Sources & evidence
- ORD record
- ord-685b4f4ddbd347718d96177d159161ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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