Benzoic Acid → [(Z)-[1-amino-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentylidene]amino] benzoate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH3:10])[CH:11]([C:12]([NH:13][OH:14])=[NH:15])[OH:16])=[O:17].[CH3:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[OH:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH3:10])[CH:11]([C:12]([NH:13][O:14][C:19](=[O:18])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)=[NH:15])[OH:16])=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-0621f53cd40d4de6a0762e84707a8a66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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