3-Chlorobenzoic Acid → HCID 178451459, 화합물
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][NH2:15])[CH:10]2[CH2:11][CH:12]2[CH2:13]1.[Cl:16][c:17]1[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][cH:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][NH:15][C:20]([c:19]2[cH:18][c:17]([Cl:16])[cH:25][cH:24][cH:23]2)=[O:21])[CH:10]2[CH2:11][CH:12]2[CH2:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-785f5d27723b415f9e86d5cca07de362
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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