Ethanol → Methyl 5-ethyl-2-(4-methoxy-2-nitroanilino)-thiophene-3-carboxylate
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[CH3:25][CH2:26][OH:27].[F:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[NH2:13][c:14]1[s:15][c:16]([CH2:23][CH3:24])[cH:17][c:18]1[C:19](=[O:20])[O:21][CH3:22]>>[c:2]1([NH:13][c:14]2[s:15][c:16]([CH2:23][CH3:24])[cH:17][c:18]2[C:19](=[O:20])[O:21][CH3:22])[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-88cb75d772fb45fc93112d8922aedb37
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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