Ammonium → Methyl 2-amino-4-(2-chloroethoxy)-5-methoxybenzoate
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[CH3:1][O:2][C:3]([c:4]1[c:5]([N+:16]([O-:17])=[O:18])[cH:6][c:7]([O:12][CH2:13][CH2:14][Cl:15])[c:8]([O:10][CH3:11])[cH:9]1)=[O:19].[CH3:24][OH:25].[Cl-:20].[Fe:23].[NH4+:21].[OH2:22]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:16])[cH:6][c:7]([O:12][CH2:13][CH2:14][Cl:15])[c:8]([O:10][CH3:11])[cH:9]1)=[O:19]참가 물질
7
출처 및 근거
- ORD 기록
- ord-3a16f0fdc6ba4aa5ac4d1a5d7fb2ad51
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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