Chlorophenyl isocyanate → Ethyl 4-[3-({[(2-Chlorophenyl)Amino]Carbonyl}Amino)Phenyl]-8-(Trifluoromethyl)Quinoline-3-Carboxylate
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[Cl:27][c:28]1[c:29]([N:34]=[C:35]=[O:36])[cH:30][cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:10][n:11][c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1)[C:35]([NH:34][c:29]1[c:28]([Cl:27])[cH:33][cH:32][cH:31][cH:30]1)=[O:36]참가 물질
3
출처 및 근거
- ORD 기록
- ord-07e7f61f65a548b78fff763651ac7141
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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