4-Amino-5-chloro-2-methoxybenzoic acid → HCID 54518956, compound
Reaction equation
[NH2:1][c:2]1[cH:3][c:4]([O:29][CH3:30])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH:14]([CH2:17][NH:18][C:19]([O:21][C:20]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:15][CH2:16]2)[cH:26][c:27]1[Cl:28].[NH2:31][c:32]1[cH:33][c:34]([O:42][CH3:43])[c:35]([C:36]([OH:37])=[O:38])[cH:39][c:40]1[Cl:41]>>[NH2:1][c:2]1[cH:3][c:4]([O:29][CH3:30])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH:14]([CH2:17][NH:18][C:19](=[O:21])[c:35]3[c:34]([O:42][CH3:43])[cH:33][c:32]([NH2:31])[c:40]([Cl:41])[cH:39]3)[CH2:15][CH2:16]2)[cH:26][c:27]1[Cl:28]Participants
3
Sources & evidence
- ORD record
- ord-899639ba3fb24a7ead2132d013c46353
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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